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

C8H11F2N3O — CID 127004844

IUPAC[2-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol
SMILESOCc1ncnn1CC1CC(F)(F)C1
InChIInChI=1S/C8H11F2N3O/c9-8(10)1-6(2-8)3-13-7(4-14)11-5-12-13/h5-6,14H,1-4H2
InChIKeyFFMDGJHMACUQOR-UHFFFAOYSA-N
MW203.19 g/mol
LogP0.82
Rot. Bonds3

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

[2-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 127004844) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is [2-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[2-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol
PubChem CID127004844
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name[2-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol
SMILESOCc1ncnn1CC1CC(F)(F)C1
InChIInChI=1S/C8H11F2N3O/c9-8(10)1-6(2-8)3-13-7(4-14)11-5-12-13/h5-6,14H,1-4H2
InChIKeyFFMDGJHMACUQOR-UHFFFAOYSA-N
XLogP0.82
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [2-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol (CID 127004844) is [2-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [2-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [2-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol is OCc1ncnn1CC1CC(F)(F)C1.
What is the InChIKey of [2-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is FFMDGJHMACUQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c9-8(10)1-6(2-8)3-13-7(4-14)11-5-12-13/h5-6,14H,1-4H2.
What are the key properties of [2-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol?
[2-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 203.19 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 127004844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).