1-((2-(2,4-Difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole, (2S,3S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C12H11F2N3O
Molecular Weight	251.232
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-((2-(2,4-Difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole, (2S,3S)-

Structure Search

SMILES

C[C@@H]1O[C@]1(CN2C=NC=N2)C3=CC=C(F)C=C3F

InChI

InChIKey=QANJLSHZDUOBBP-UFBFGSQYSA-N

InChI=1S/C12H11F2N3O/c1-8-12(18-8,5-17-7-15-6-16-17)10-3-2-9(13)4-11(10)14/h2-4,6-8H,5H2,1H3/t8-,12-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C12H11F2N3O
Molecular Weight	251.232
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:20:55 GMT 2025` Edited by `admin` on `Wed Apr 02 17:20:55 GMT 2025`
Record UNII	HK4LX54W4W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Efinaconazole Related Impurity 5

Preferred Name

English

1-((2-(2,4-Difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole, (2S,3S)-

Systematic Name

English

1-(((2S,3S)-2-(2,4-Difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole

Systematic Name

English

(2S,3S)-2-(2,4-Difluorophenyl)-3-methyl-2-[(1H-1,2,4-triazol-1-yl)methyl]oxirane

Systematic Name

English

1H-1,2,4-Triazole, 1-[[(2S,3S)-2-(2,4-difluorophenyl)-3-methyloxiranyl]methyl]-

Systematic Name

English

1H-1,2,4-Triazole, 1-[[2-(2,4-difluorophenyl)-3-methyloxiranyl]methyl]-, (2S-trans)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

11345723

Created by admin on Wed Apr 02 17:20:55 GMT 2025 , Edited by admin on Wed Apr 02 17:20:55 GMT 2025

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CAS

135270-10-9

Created by admin on Wed Apr 02 17:20:55 GMT 2025 , Edited by admin on Wed Apr 02 17:20:55 GMT 2025

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FDA UNII

HK4LX54W4W

Created by admin on Wed Apr 02 17:20:55 GMT 2025 , Edited by admin on Wed Apr 02 17:20:55 GMT 2025

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EPA CompTox

DTXSID301135239

Created by admin on Wed Apr 02 17:20:55 GMT 2025 , Edited by admin on Wed Apr 02 17:20:55 GMT 2025

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