4,4,4-Trifluoro-3-(trifluoromethyl)-2-butenoic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H2F6O2
Molecular Weight	208.0586
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4,4,4-Trifluoro-3-(trifluoromethyl)-2-butenoic acid

Structure Search

SMILES

OC(=O)C=C(C(F)(F)F)C(F)(F)F

InChI

InChIKey=ZSBJCNVMTCMOBW-UHFFFAOYSA-N

InChI=1S/C5H2F6O2/c6-4(7,8)2(1-3(12)13)5(9,10)11/h1H,(H,12,13)

HIDE SMILES / InChI

Molecular Formula	C5H2F6O2
Molecular Weight	208.0586
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 12:46:46 GMT 2023` Edited by `admin` on `Sat Dec 16 12:46:46 GMT 2023`
Record UNII	8W5PUE36ZE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4,4,4-Trifluoro-3-(trifluoromethyl)-2-butenoic acid

Systematic Name

English

2-Butenoic acid, 4,4,4-trifluoro-3-trifluoromethyl-

Systematic Name

English

2-Butenoic acid, 4,4,4-trifluoro-3-(trifluoromethyl)-

Systematic Name

English

Code System Code Type Description

FDA UNII

8W5PUE36ZE

Created by admin on Sat Dec 16 12:46:46 GMT 2023 , Edited by admin on Sat Dec 16 12:46:46 GMT 2023

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CAS

1763-28-6

Created by admin on Sat Dec 16 12:46:46 GMT 2023 , Edited by admin on Sat Dec 16 12:46:46 GMT 2023

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ECHA (EC/EINECS)

217-180-3

Created by admin on Sat Dec 16 12:46:46 GMT 2023 , Edited by admin on Sat Dec 16 12:46:46 GMT 2023

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PUBCHEM

15669

Created by admin on Sat Dec 16 12:46:46 GMT 2023 , Edited by admin on Sat Dec 16 12:46:46 GMT 2023

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EPA CompTox

DTXSID30170109

Created by admin on Sat Dec 16 12:46:46 GMT 2023 , Edited by admin on Sat Dec 16 12:46:46 GMT 2023

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