1-fluoro-1,2-diphenyl-3-(1,2,4-triazol-1-yl)propan-2-ol

C17H16FN3O — CID 150440123

IUPAC1-fluoro-1,2-diphenyl-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(Cn1cncn1)(c1ccccc1)C(F)c1ccccc1
InChIInChI=1S/C17H16FN3O/c18-16(14-7-3-1-4-8-14)17(22,11-21-13-19-12-20-21)15-9-5-2-6-10-15/h1-10,12-13,16,22H,11H2
InChIKeyHLPDEGMAKXQMQN-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.88
Rot. Bonds5

About 1-fluoro-1,2-diphenyl-3-(1,2,4-triazol-1-yl)propan-2-ol

1-fluoro-1,2-diphenyl-3-(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 150440123) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 1-fluoro-1,2-diphenyl-3-(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-fluoro-1,2-diphenyl-3-(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID150440123
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name1-fluoro-1,2-diphenyl-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(Cn1cncn1)(c1ccccc1)C(F)c1ccccc1
InChIInChI=1S/C17H16FN3O/c18-16(14-7-3-1-4-8-14)17(22,11-21-13-19-12-20-21)15-9-5-2-6-10-15/h1-10,12-13,16,22H,11H2
InChIKeyHLPDEGMAKXQMQN-UHFFFAOYSA-N
XLogP2.88
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dimethoxy-2-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 13491628
1-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethyl)phenyl]butane-2,3-diol
CID 15197548
(1S)-1-phenyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)ethanol
CID 40634096
2-phenyl-3-(1,2,4-triazol-1-yl)propanoic acid
CID 63073894
2,4-diphenyl-1,5-bis(1,2,4-triazol-1-yl)pentan-3-one
CID 174783039
1,1-difluoro-2-[4-(4-fluorophenoxy)phenyl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 70351077
2-phenyl-1-(1,2,4-triazol-1-yl)hexan-2-ol
CID 13236903
2-[[3-hydroxy-4-(1,2,4-triazol-1-yl)-3-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]acetic acid
CID 67622056
ethyl 3-(2-fluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanoate
CID 67913094
4-hydroxy-3-phenyl-1-(1,2,4-triazol-1-yl)butan-2-one
CID 10977307
(2R,3R)-3-amino-2-(2-fluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 10658310
(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol
CID 51669163

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1,2-diphenyl-3-(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 1-fluoro-1,2-diphenyl-3-(1,2,4-triazol-1-yl)propan-2-ol (CID 150440123) is 1-fluoro-1,2-diphenyl-3-(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-fluoro-1,2-diphenyl-3-(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 1-fluoro-1,2-diphenyl-3-(1,2,4-triazol-1-yl)propan-2-ol is OC(Cn1cncn1)(c1ccccc1)C(F)c1ccccc1.
What is the InChIKey of 1-fluoro-1,2-diphenyl-3-(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is HLPDEGMAKXQMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c18-16(14-7-3-1-4-8-14)17(22,11-21-13-19-12-20-21)15-9-5-2-6-10-15/h1-10,12-13,16,22H,11H2.
What are the key properties of 1-fluoro-1,2-diphenyl-3-(1,2,4-triazol-1-yl)propan-2-ol?
1-fluoro-1,2-diphenyl-3-(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 297.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1,2-diphenyl-3-(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 150440123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).