3',5'-Bis(trifluoromethyl)propiophenone

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H8F6O
Molecular Weight	270.171
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3',5'-Bis(trifluoromethyl)propiophenone

Structure Search

SMILES

CCC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChIKey=VLRWCHKOSBUGMB-UHFFFAOYSA-N

InChI=1S/C11H8F6O/c1-2-9(18)6-3-7(10(12,13)14)5-8(4-6)11(15,16)17/h3-5H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula	C11H8F6O
Molecular Weight	270.171
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 `Sat Dec 16 12:34:57 GMT 2023` Edited by `admin` on `Sat Dec 16 12:34:57 GMT 2023`
Record UNII	9CXA2S32LC
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3',5'-Bis(trifluoromethyl)propiophenone

Systematic Name

English

1-[3,5-Bis(trifluoromethyl)phenyl]-1-propanone

Systematic Name

English

3′,5′-Bistrifluoromethylpropiophenone

Systematic Name

English

1-Propanone, 1-[3,5-bis(trifluoromethyl)phenyl]-

Systematic Name

English

Code System Code Type Description

PUBCHEM

522825

Created by admin on Sat Dec 16 12:34:57 GMT 2023 , Edited by admin on Sat Dec 16 12:34:57 GMT 2023

PRIMARY

FDA UNII

9CXA2S32LC

Created by admin on Sat Dec 16 12:34:57 GMT 2023 , Edited by admin on Sat Dec 16 12:34:57 GMT 2023

PRIMARY

ECHA (EC/EINECS)

285-296-1

Created by admin on Sat Dec 16 12:34:57 GMT 2023 , Edited by admin on Sat Dec 16 12:34:57 GMT 2023

PRIMARY

EPA CompTox

DTXSID70234138

Created by admin on Sat Dec 16 12:34:57 GMT 2023 , Edited by admin on Sat Dec 16 12:34:57 GMT 2023

PRIMARY

CAS

85068-34-4

Created by admin on Sat Dec 16 12:34:57 GMT 2023 , Edited by admin on Sat Dec 16 12:34:57 GMT 2023

PRIMARY