2-[3-(4-fluorophenyl)triazol-4-yl]propan-2-ol

C11H12FN3O — CID 117167342

IUPAC2-[3-(4-fluorophenyl)triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cnnn1-c1ccc(F)cc1
InChIInChI=1S/C11H12FN3O/c1-11(2,16)10-7-13-14-15(10)9-5-3-8(12)4-6-9/h3-7,16H,1-2H3
InChIKeyUHAXSFGMPDVTJG-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.63
Rot. Bonds2

About 2-[3-(4-fluorophenyl)triazol-4-yl]propan-2-ol

2-[3-(4-fluorophenyl)triazol-4-yl]propan-2-ol (PubChem CID 117167342) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)triazol-4-yl]propan-2-ol
PubChem CID117167342
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name2-[3-(4-fluorophenyl)triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cnnn1-c1ccc(F)cc1
InChIInChI=1S/C11H12FN3O/c1-11(2,16)10-7-13-14-15(10)9-5-3-8(12)4-6-9/h3-7,16H,1-2H3
InChIKeyUHAXSFGMPDVTJG-UHFFFAOYSA-N
XLogP1.63
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]phenol
CID 117167347
1-[3-(4-fluorophenyl)triazol-4-yl]ethanamine
CID 117167368
2-methyl-2-(3-phenyltriazol-4-yl)propanoic acid
CID 114690024
4-methyl-2-(3-phenyltriazol-4-yl)pentan-2-ol
CID 114685496
2-[3-(2-fluoroethyl)triazol-4-yl]propan-2-ol
CID 84654618
1-ethoxy-2-(3-phenyltriazol-4-yl)propan-2-ol
CID 114685504
2,6-dimethyl-4-(3-phenyltriazol-4-yl)heptan-4-ol
CID 114865283
2-(4-fluorophenyl)-1-(3-phenyltriazol-4-yl)ethanol
CID 114686314
3-methyl-3-(3-phenyltriazol-4-yl)butanoic acid
CID 114691347
2-(3-ethyltriazol-4-yl)propan-2-ol
CID 115012063
3-[3-(4-fluorophenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 117167403
2-(4-fluorophenyl)propan-2-ol
CID 637733

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[3-(4-fluorophenyl)triazol-4-yl]propan-2-ol (CID 117167342) is 2-[3-(4-fluorophenyl)triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[3-(4-fluorophenyl)triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[3-(4-fluorophenyl)triazol-4-yl]propan-2-ol is CC(C)(O)c1cnnn1-c1ccc(F)cc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)triazol-4-yl]propan-2-ol?
The InChIKey is UHAXSFGMPDVTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-11(2,16)10-7-13-14-15(10)9-5-3-8(12)4-6-9/h3-7,16H,1-2H3.
What are the key properties of 2-[3-(4-fluorophenyl)triazol-4-yl]propan-2-ol?
2-[3-(4-fluorophenyl)triazol-4-yl]propan-2-ol has a molecular weight of 221.24 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)triazol-4-yl]propan-2-ol is sourced from PubChem (CID 117167342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).