[1-[(2,5-difluorophenyl)methyl]triazol-4-yl]methanol

C10H9F2N3O — CID 62399428

IUPAC[1-[(2,5-difluorophenyl)methyl]triazol-4-yl]methanol
SMILESOCc1cn(Cc2cc(F)ccc2F)nn1
InChIInChI=1S/C10H9F2N3O/c11-8-1-2-10(12)7(3-8)4-15-5-9(6-16)13-14-15/h1-3,5,16H,4,6H2
InChIKeyCPXCFPVHWMSVCC-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.10
Rot. Bonds3

About [1-[(2,5-difluorophenyl)methyl]triazol-4-yl]methanol

[1-[(2,5-difluorophenyl)methyl]triazol-4-yl]methanol (PubChem CID 62399428) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is [1-[(2,5-difluorophenyl)methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2,5-difluorophenyl)methyl]triazol-4-yl]methanol
PubChem CID62399428
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name[1-[(2,5-difluorophenyl)methyl]triazol-4-yl]methanol
SMILESOCc1cn(Cc2cc(F)ccc2F)nn1
InChIInChI=1S/C10H9F2N3O/c11-8-1-2-10(12)7(3-8)4-15-5-9(6-16)13-14-15/h1-3,5,16H,4,6H2
InChIKeyCPXCFPVHWMSVCC-UHFFFAOYSA-N
XLogP1.10
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2-chloro-5-fluorophenyl)methyl]triazol-4-yl]methanol
CID 102619773
4-(chloromethyl)-1-[(2,5-difluorophenyl)methyl]triazole
CID 62400645
2-amino-N-[[1-[(2,5-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778543
[1-[(2,5-dichlorophenyl)methyl]triazol-4-yl]methanol
CID 65318810
[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]methanol
CID 62402021
4-(2-bromoethyl)-1-[(5-chloro-2-fluorophenyl)methyl]triazole
CID 103049589
4-(2-chloroethyl)-1-[(2,4-difluorophenyl)methyl]triazole
CID 62400097
2-[1-[(5-fluoro-2-nitrophenyl)methyl]triazol-4-yl]ethanol
CID 62402055
N-[[1-[(5-fluoro-2-methylphenyl)methyl]triazol-4-yl]methyl]ethanamine
CID 105374772
[1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-yl]methanamine
CID 55029615
4-[1-[(2-bromo-5-fluorophenyl)methyl]triazol-4-yl]butan-1-amine
CID 104539082
[1-[(5-amino-2-methylphenyl)methyl]triazol-4-yl]methanol
CID 91087646

Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-difluorophenyl)methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[(2,5-difluorophenyl)methyl]triazol-4-yl]methanol (CID 62399428) is [1-[(2,5-difluorophenyl)methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(2,5-difluorophenyl)methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(2,5-difluorophenyl)methyl]triazol-4-yl]methanol is OCc1cn(Cc2cc(F)ccc2F)nn1.
What is the InChIKey of [1-[(2,5-difluorophenyl)methyl]triazol-4-yl]methanol?
The InChIKey is CPXCFPVHWMSVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c11-8-1-2-10(12)7(3-8)4-15-5-9(6-16)13-14-15/h1-3,5,16H,4,6H2.
What are the key properties of [1-[(2,5-difluorophenyl)methyl]triazol-4-yl]methanol?
[1-[(2,5-difluorophenyl)methyl]triazol-4-yl]methanol has a molecular weight of 225.20 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-difluorophenyl)methyl]triazol-4-yl]methanol is sourced from PubChem (CID 62399428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).