[1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methanol

C10H9F2N3O2 — CID 62402020

IUPAC[1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methanol
SMILESOCc1cn(-c2ccc(OC(F)F)cc2)nn1
InChIInChI=1S/C10H9F2N3O2/c11-10(12)17-9-3-1-8(2-4-9)15-5-7(6-16)13-14-15/h1-5,10,16H,6H2
InChIKeyKPIKVCRVZJMTKP-UHFFFAOYSA-N
MW241.20 g/mol
LogP1.36
Rot. Bonds4

About [1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methanol

[1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methanol (PubChem CID 62402020) has the molecular formula C10H9F2N3O2 and a molecular weight of 241.20 g/mol. Its IUPAC name is [1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methanol
PubChem CID62402020
Molecular FormulaC10H9F2N3O2
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name[1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methanol
SMILESOCc1cn(-c2ccc(OC(F)F)cc2)nn1
InChIInChI=1S/C10H9F2N3O2/c11-10(12)17-9-3-1-8(2-4-9)15-5-7(6-16)13-14-15/h1-5,10,16H,6H2
InChIKeyKPIKVCRVZJMTKP-UHFFFAOYSA-N
XLogP1.36
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-methoxyphenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 49803437
1H-1,2,3-Triazole, 4-(phenoxymethyl)-1-phenyl-
CID 851737
4-Hydroxy-4-[1-(4-methoxyphenyl)triazol-4-yl]cyclohexa-2,5-dien-1-one
CID 46211544
4-(4-Pentyltriazol-1-yl)phenol
CID 122501204
(1-(2-methoxyphenyl)-1H-1,2,3-triazol-4-yl)methanol
CID 594728
[1-[4-Chloro-3-(trifluoromethoxy)phenyl]triazol-4-yl]methanol
CID 152270061
1-{1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazol-4-yl}ethan-1-ol
CID 75176208
1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid
CID 10513054
1-(4-Butoxyphenyl)triazole
CID 13106117
4-(Difluoromethyl)-1-(2-methoxyphenyl)triazole
CID 16074339
4-(Difluoromethyl)-1-(4-methoxyphenyl)triazole
CID 16074340
4-(Difluoromethyl)-1-(2,5-dimethoxyphenyl)triazole
CID 16074341

Frequently Asked Questions

What is the IUPAC name of [1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methanol?
The IUPAC name of [1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methanol (CID 62402020) is [1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methanol is OCc1cn(-c2ccc(OC(F)F)cc2)nn1.
What is the InChIKey of [1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methanol?
The InChIKey is KPIKVCRVZJMTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O2/c11-10(12)17-9-3-1-8(2-4-9)15-5-7(6-16)13-14-15/h1-5,10,16H,6H2.
What are the key properties of [1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methanol?
[1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methanol has a molecular weight of 241.20 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methanol is sourced from PubChem (CID 62402020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).