1,1-difluoro-1-(1,2,4-triazol-1-yl)propan-2-ol

C5H7F2N3O — CID 89310336

IUPAC1,1-difluoro-1-(1,2,4-triazol-1-yl)propan-2-ol
SMILESCC(O)C(F)(F)n1cncn1
InChIInChI=1S/C5H7F2N3O/c1-4(11)5(6,7)10-3-8-2-9-10/h2-4,11H,1H3
InChIKeyWUGWNXXZDNZRRI-UHFFFAOYSA-N
MW163.13 g/mol
LogP0.21
Rot. Bonds2

About 1,1-difluoro-1-(1,2,4-triazol-1-yl)propan-2-ol

1,1-difluoro-1-(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 89310336) has the molecular formula C5H7F2N3O and a molecular weight of 163.13 g/mol. Its IUPAC name is 1,1-difluoro-1-(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-1-(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID89310336
Molecular FormulaC5H7F2N3O
Molecular Weight163.13 g/mol
Exact Mass163.06
IUPAC Name1,1-difluoro-1-(1,2,4-triazol-1-yl)propan-2-ol
SMILESCC(O)C(F)(F)n1cncn1
InChIInChI=1S/C5H7F2N3O/c1-4(11)5(6,7)10-3-8-2-9-10/h2-4,11H,1H3
InChIKeyWUGWNXXZDNZRRI-UHFFFAOYSA-N
XLogP0.21
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1-difluoro-1-(1,2,4-triazol-1-yl)propan-2-ol 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 1,1-difluoro-1-(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 1,1-difluoro-1-(1,2,4-triazol-1-yl)propan-2-ol (CID 89310336) is 1,1-difluoro-1-(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-1-(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 1,1-difluoro-1-(1,2,4-triazol-1-yl)propan-2-ol is CC(O)C(F)(F)n1cncn1.
What is the InChIKey of 1,1-difluoro-1-(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is WUGWNXXZDNZRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3O/c1-4(11)5(6,7)10-3-8-2-9-10/h2-4,11H,1H3.
What are the key properties of 1,1-difluoro-1-(1,2,4-triazol-1-yl)propan-2-ol?
1,1-difluoro-1-(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 163.13 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 89310336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).