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

C11H11F2N3O — CID 113482604

IUPAC1-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol
SMILESCCC(O)c1cn(-c2ccc(F)c(F)c2)nn1
InChIInChI=1S/C11H11F2N3O/c1-2-11(17)10-6-16(15-14-10)7-3-4-8(12)9(13)5-7/h3-6,11,17H,2H2,1H3
InChIKeyPCPGSAXCAUBPIK-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.99
Rot. Bonds3

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

1-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol (PubChem CID 113482604) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 1-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol
PubChem CID113482604
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name1-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol
SMILESCCC(O)c1cn(-c2ccc(F)c(F)c2)nn1
InChIInChI=1S/C11H11F2N3O/c1-2-11(17)10-6-16(15-14-10)7-3-4-8(12)9(13)5-7/h3-6,11,17H,2H2,1H3
InChIKeyPCPGSAXCAUBPIK-UHFFFAOYSA-N
XLogP1.99
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-chloro-3-fluorophenyl)triazol-4-yl]propan-1-ol
CID 113482589
1-[1-(2,4,5-trifluorophenyl)triazol-4-yl]propan-1-ol
CID 113482617
1-[1-(3-ethylphenyl)triazol-4-yl]propan-1-ol
CID 113482605
1-[1-(3-fluoro-5-methoxyphenyl)triazol-4-yl]propan-1-ol
CID 114262787
(1S)-1-[1-(3-fluoro-4-methylphenyl)triazol-4-yl]ethanol
CID 129393826
1-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanol
CID 81445194
2-[1-(3,4-difluorophenyl)triazol-4-yl]butan-2-ol
CID 135135935
1-[1-(2,6-dimethylphenyl)triazol-4-yl]propan-1-ol
CID 136572305
1-(3-chloro-4-fluorophenyl)-4-(diethoxymethyl)triazole
CID 66216621
1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]propan-1-ol
CID 114858232
1-[1-(3-fluoro-4-nitrophenyl)triazol-4-yl]propan-1-amine
CID 106227272
3-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol
CID 113374463

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol?
The IUPAC name of 1-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol (CID 113482604) is 1-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol is CCC(O)c1cn(-c2ccc(F)c(F)c2)nn1.
What is the InChIKey of 1-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol?
The InChIKey is PCPGSAXCAUBPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-2-11(17)10-6-16(15-14-10)7-3-4-8(12)9(13)5-7/h3-6,11,17H,2H2,1H3.
What are the key properties of 1-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol?
1-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol has a molecular weight of 239.23 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol is sourced from PubChem (CID 113482604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).