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

C5H7F2N3O — CID 115409594

IUPAC[4-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol
SMILESOCc1nncn1CC(F)F
InChIInChI=1S/C5H7F2N3O/c6-4(7)1-10-3-8-9-5(10)2-11/h3-4,11H,1-2H2
InChIKeyUZJFKAGHHDJJOD-UHFFFAOYSA-N
MW163.13 g/mol
LogP0.04
Rot. Bonds3

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

[4-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 115409594) has the molecular formula C5H7F2N3O and a molecular weight of 163.13 g/mol. Its IUPAC name is [4-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID115409594
Molecular FormulaC5H7F2N3O
Molecular Weight163.13 g/mol
Exact Mass163.06
IUPAC Name[4-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol
SMILESOCc1nncn1CC(F)F
InChIInChI=1S/C5H7F2N3O/c6-4(7)1-10-3-8-9-5(10)2-11/h3-4,11H,1-2H2
InChIKeyUZJFKAGHHDJJOD-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

(dimethyl-4H-1,2,4-triazol-3-yl)methanol
CID 18726738
(1-Methyl-1H-1,2,4-triazol-3-yl)methanol
CID 10351670
(1-ethyl-1H-1,2,4-triazol-5-yl)methanol
CID 11412385
(4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 15707893
4-Propyl-4H-1,2,4-triazole-3-methanol
CID 22938629
(4-(2,2,2-trifluoroethyl)-4H-1,2,4-triazol-3-yl)methanol
CID 81665545
[1-methyl-3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methanol
CID 165997726
(1-methyl-1H-1,2,4-triazol-5-yl)methanol
CID 11073377
[2-(2-Fluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 18406845
[1-(2,2-difluoroethyl)-1H-1,2,4-triazol-5-yl]methanol
CID 18406934
1-[3-(Trifluoromethyl)-1,2,4-triazol-1-yl]ethanol
CID 57028757
1-[3-(Fluoromethyl)-1,2,4-triazol-1-yl]ethanol
CID 57071623

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol (CID 115409594) is [4-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol is OCc1nncn1CC(F)F.
What is the InChIKey of [4-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is UZJFKAGHHDJJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3O/c6-4(7)1-10-3-8-9-5(10)2-11/h3-4,11H,1-2H2.
What are the key properties of [4-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol?
[4-(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 [4-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115409594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).