Hydrocinnamic acid, m-[bis(2-fluoroethyl)amino]-

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H17F2NO2
Molecular Weight	257.2764
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Hydrocinnamic acid, m-[bis(2-fluoroethyl)amino]-

Structure Search

SMILES

OC(=O)CCC1=CC(=CC=C1)N(CCF)CCF

InChI

InChIKey=PVCKFWPANVOENB-UHFFFAOYSA-N

InChI=1S/C13H17F2NO2/c14-6-8-16(9-7-15)12-3-1-2-11(10-12)4-5-13(17)18/h1-3,10H,4-9H2,(H,17,18)

HIDE SMILES / InChI

Molecular Formula	C13H17F2NO2
Molecular Weight	257.2764
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:36:39 GMT 2025` Edited by `admin` on `Tue Apr 01 19:36:39 GMT 2025`
Record UNII	LJJ49T6U2V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Hydrocinnamic acid, m-[bis(2-fluoroethyl)amino]-

Systematic Name

English

NSC-77491

Preferred Name

English

3-[Bis(2-fluoroethyl)amino]benzenepropanoic acid

Systematic Name

English

Benzenepropanoic acid, 3-[bis(2-fluoroethyl)amino]-

Systematic Name

English

Code System Code Type Description

FDA UNII

LJJ49T6U2V

Created by admin on Tue Apr 01 19:36:39 GMT 2025 , Edited by admin on Tue Apr 01 19:36:39 GMT 2025

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EPA CompTox

DTXSID60150858

Created by admin on Tue Apr 01 19:36:39 GMT 2025 , Edited by admin on Tue Apr 01 19:36:39 GMT 2025

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PUBCHEM

14376

Created by admin on Tue Apr 01 19:36:39 GMT 2025 , Edited by admin on Tue Apr 01 19:36:39 GMT 2025

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CAS

1148-78-3

Created by admin on Tue Apr 01 19:36:39 GMT 2025 , Edited by admin on Tue Apr 01 19:36:39 GMT 2025

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NSC

77491

Created by admin on Tue Apr 01 19:36:39 GMT 2025 , Edited by admin on Tue Apr 01 19:36:39 GMT 2025

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