Butyl trifluoroacetate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H9F3O2
Molecular Weight	170.1297
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Butyl trifluoroacetate

Structure Search

SMILES

CCCCOC(=O)C(F)(F)F

InChI

InChIKey=CLDYDTBRUJPBGU-UHFFFAOYSA-N

InChI=1S/C6H9F3O2/c1-2-3-4-11-5(10)6(7,8)9/h2-4H2,1H3

HIDE SMILES / InChI

Molecular Formula	C6H9F3O2
Molecular Weight	170.1297
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 17:54:19 GMT 2025` Edited by `admin` on `Tue Apr 01 17:54:19 GMT 2025`
Record UNII	3MZ278LA66
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-77658

Preferred Name

English

Butyl trifluoroacetate

Systematic Name

English

Butyl 2,2,2-trifluoroacetate

Systematic Name

English

Acetic acid, 2,2,2-trifluoro-, butyl ester

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID70190149

Created by admin on Tue Apr 01 17:54:19 GMT 2025 , Edited by admin on Tue Apr 01 17:54:19 GMT 2025

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ECHA (EC/EINECS)

206-699-0

Created by admin on Tue Apr 01 17:54:19 GMT 2025 , Edited by admin on Tue Apr 01 17:54:19 GMT 2025

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PUBCHEM

78987

Created by admin on Tue Apr 01 17:54:19 GMT 2025 , Edited by admin on Tue Apr 01 17:54:19 GMT 2025

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FDA UNII

3MZ278LA66

Created by admin on Tue Apr 01 17:54:19 GMT 2025 , Edited by admin on Tue Apr 01 17:54:19 GMT 2025

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NSC

77658

Created by admin on Tue Apr 01 17:54:19 GMT 2025 , Edited by admin on Tue Apr 01 17:54:19 GMT 2025

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CAS

367-64-6

Created by admin on Tue Apr 01 17:54:19 GMT 2025 , Edited by admin on Tue Apr 01 17:54:19 GMT 2025

PRIMARY