[2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol

C10H9F2N3O — CID 105408744

IUPAC[2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
SMILESOCc1ncnn1Cc1cc(F)cc(F)c1
InChIInChI=1S/C10H9F2N3O/c11-8-1-7(2-9(12)3-8)4-15-10(5-16)13-6-14-15/h1-3,6,16H,4-5H2
InChIKeyCMSZLBCQYFAQBG-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.10
Rot. Bonds3

About [2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol

[2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 105408744) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is [2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
PubChem CID105408744
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name[2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
SMILESOCc1ncnn1Cc1cc(F)cc(F)c1
InChIInChI=1S/C10H9F2N3O/c11-8-1-7(2-9(12)3-8)4-15-10(5-16)13-6-14-15/h1-3,6,16H,4-5H2
InChIKeyCMSZLBCQYFAQBG-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

[2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 105408699
[2-[(5-chloro-2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 103049909
[2-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 102620083
[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol
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(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 11412385
[2-[(3-bromo-2,6-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 114166751
[2-(3-fluoropropyl)-1,2,4-triazol-3-yl]methanol
CID 81114047
[2-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-triazol-3-yl]methanol
CID 116618007
[2-[(1-methylcyclopentyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 130578455
[2-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 127004844
2-[(3,5-difluorophenyl)methyl]-4H-1,2,4-triazol-3-one
CID 141052888
[2-[(2,4-dinitrophenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 66223519

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol (CID 105408744) is [2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol is OCc1ncnn1Cc1cc(F)cc(F)c1.
What is the InChIKey of [2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is CMSZLBCQYFAQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c11-8-1-7(2-9(12)3-8)4-15-10(5-16)13-6-14-15/h1-3,6,16H,4-5H2.
What are the key properties of [2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol?
[2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-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 [2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 105408744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).