[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol

C5H7F2N3O — CID 18406934

IUPAC[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol
SMILESOCc1ncnn1CC(F)F
InChIInChI=1S/C5H7F2N3O/c6-4(7)1-10-5(2-11)8-3-9-10/h3-4,11H,1-2H2
InChIKeyUUHFGAPRERVWQL-UHFFFAOYSA-N
MW163.13 g/mol
LogP0.04
Rot. Bonds3

About [2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol

[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 18406934) has the molecular formula C5H7F2N3O and a molecular weight of 163.13 g/mol. Its IUPAC name is [2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID18406934
Molecular FormulaC5H7F2N3O
Molecular Weight163.13 g/mol
Exact Mass163.06
IUPAC Name[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol
SMILESOCc1ncnn1CC(F)F
InChIInChI=1S/C5H7F2N3O/c6-4(7)1-10-5(2-11)8-3-9-10/h3-4,11H,1-2H2
InChIKeyUUHFGAPRERVWQL-UHFFFAOYSA-N
XLogP0.04
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 11412385
[2-(3-fluoropropyl)-1,2,4-triazol-3-yl]methanol
CID 81114047
[2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 105408744
[2-[(5-chloro-2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 103049909
[2-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-triazol-3-yl]methanol
CID 116618007
[2-(2-fluoropropyl)-1,2,4-triazol-3-yl]methanamine
CID 84650765
[2-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 127004844
[2-[(3-bromo-2,6-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 114166751
[2-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 102620083
N'-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methoxy]-2-phenylethanimidamide
CID 126830682
1,1-difluoro-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-one
CID 112574058
2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol
CID 66059154

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol (CID 18406934) is [2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol is OCc1ncnn1CC(F)F.
What is the InChIKey of [2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is UUHFGAPRERVWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3O/c6-4(7)1-10-5(2-11)8-3-9-10/h3-4,11H,1-2H2.
What are the key properties of [2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol?
[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 163.13 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 18406934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).