M-(TRIFLUOROMETHYL)CINNAMIC ACID

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H7F3O2
Molecular Weight	216.1566
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of M-(TRIFLUOROMETHYL)CINNAMIC ACID

Structure Search

SMILES

OC(=O)\C=C\C1=CC(=CC=C1)C(F)(F)F

InChI

InChIKey=KSBWHDDGWSYETA-SNAWJCMRSA-N

InChI=1S/C10H7F3O2/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15)/b5-4+

HIDE SMILES / InChI

Molecular Formula	C10H7F3O2
Molecular Weight	216.1566
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Patents

Patents

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:23:54 GMT 2025` Edited by `admin` on `Tue Apr 01 16:23:54 GMT 2025`
Record UNII	P9LJ9ON37W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

M-(TRIFLUOROMETHYL)CINNAMIC ACID

Systematic Name

English

CINACALCET (M8)

Preferred Name

English

TRANS-3-(TRIFLUOROMETHYL)CINNAMIC ACID

Systematic Name

English

(E)-M-(TRIFLUOROMETHYL)CINNAMIC ACID

Systematic Name

English

2-PROPENOIC ACID, 3-(3-(TRIFLUOROMETHYL)PHENYL)-

Systematic Name

English

2-PROPENOIC ACID, 3-(3-(TRIFLUOROMETHYL)PHENYL)-, (2E)-

Systematic Name

English

3-(TRIFLUOROMETHYL)CINNAMIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

719451

Created by admin on Tue Apr 01 16:23:54 GMT 2025 , Edited by admin on Tue Apr 01 16:23:54 GMT 2025

PRIMARY

FDA UNII

P9LJ9ON37W

Created by admin on Tue Apr 01 16:23:54 GMT 2025 , Edited by admin on Tue Apr 01 16:23:54 GMT 2025

PRIMARY

CHEBI

60704

Created by admin on Tue Apr 01 16:23:54 GMT 2025 , Edited by admin on Tue Apr 01 16:23:54 GMT 2025

PRIMARY

EPA CompTox

DTXSID90886895

Created by admin on Tue Apr 01 16:23:54 GMT 2025 , Edited by admin on Tue Apr 01 16:23:54 GMT 2025

PRIMARY

ECHA (EC/EINECS)

212-301-6

Created by admin on Tue Apr 01 16:23:54 GMT 2025 , Edited by admin on Tue Apr 01 16:23:54 GMT 2025

ALTERNATIVE

CAS

779-89-5

Created by admin on Tue Apr 01 16:23:54 GMT 2025 , Edited by admin on Tue Apr 01 16:23:54 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

CAS

67801-07-4

Created by admin on Tue Apr 01 16:23:54 GMT 2025 , Edited by admin on Tue Apr 01 16:23:54 GMT 2025

PRIMARY

ECHA (EC/EINECS)

267-126-8

Created by admin on Tue Apr 01 16:23:54 GMT 2025 , Edited by admin on Tue Apr 01 16:23:54 GMT 2025

PRIMARY

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