3-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol

C11H11F2N3O — CID 113374463

IUPAC3-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol
SMILESOCCCc1cn(-c2ccc(F)c(F)c2)nn1
InChIInChI=1S/C11H11F2N3O/c12-10-4-3-9(6-11(10)13)16-7-8(14-15-16)2-1-5-17/h3-4,6-7,17H,1-2,5H2
InChIKeyVQUIYJRCHMAUSH-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.47
Rot. Bonds4

About 3-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol

3-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol (PubChem CID 113374463) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol
PubChem CID113374463
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name3-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol
SMILESOCCCc1cn(-c2ccc(F)c(F)c2)nn1
InChIInChI=1S/C11H11F2N3O/c12-10-4-3-9(6-11(10)13)16-7-8(14-15-16)2-1-5-17/h3-4,6-7,17H,1-2,5H2
InChIKeyVQUIYJRCHMAUSH-UHFFFAOYSA-N
XLogP1.47
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

3-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]propan-1-ol
CID 113374472
3-[1-(3,4-dimethylphenyl)triazol-4-yl]propan-1-ol
CID 113374462
2-[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 62399751
2-[1-(3-fluoro-4-nitrophenyl)triazol-4-yl]ethanol
CID 82843995
3-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol
CID 113374476
3-[1-(3-fluoro-4-methoxyphenyl)triazol-4-yl]propan-1-amine
CID 114159959
2-[1-(3,4-dimethylphenyl)triazol-4-yl]ethanol
CID 62399390
2-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanamine
CID 116641612
3-[1-[3-(methoxymethyl)phenyl]triazol-4-yl]propan-1-ol
CID 113374449
4-(3-chloropropyl)-1-(4-fluoro-3-methoxyphenyl)triazole
CID 114840800
3-[1-(3-bromo-4-fluorophenyl)triazol-4-yl]propanoic acid
CID 107460544
2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 62399576

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol?
The IUPAC name of 3-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol (CID 113374463) is 3-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol is OCCCc1cn(-c2ccc(F)c(F)c2)nn1.
What is the InChIKey of 3-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol?
The InChIKey is VQUIYJRCHMAUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c12-10-4-3-9(6-11(10)13)16-7-8(14-15-16)2-1-5-17/h3-4,6-7,17H,1-2,5H2.
What are the key properties of 3-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol?
3-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol has a molecular weight of 239.23 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol is sourced from PubChem (CID 113374463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).