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

C14H18FN3O — CID 79449251

IUPAC2-(2-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
SMILESCC(C)n1ncnc1CC(CO)c1ccccc1F
InChIInChI=1S/C14H18FN3O/c1-10(2)18-14(16-9-17-18)7-11(8-19)12-5-3-4-6-13(12)15/h3-6,9-11,19H,7-8H2,1-2H3
InChIKeyPNBMENNLNQNQAX-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.32
Rot. Bonds5

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

2-(2-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol (PubChem CID 79449251) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
PubChem CID79449251
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-(2-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
SMILESCC(C)n1ncnc1CC(CO)c1ccccc1F
InChIInChI=1S/C14H18FN3O/c1-10(2)18-14(16-9-17-18)7-11(8-19)12-5-3-4-6-13(12)15/h3-6,9-11,19H,7-8H2,1-2H3
InChIKeyPNBMENNLNQNQAX-UHFFFAOYSA-N
XLogP2.32
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-bromo-2-(2-fluorophenyl)propyl]-1-propan-2-yl-1,2,4-triazole
CID 79454619
1-(2,6-difluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 115813882
5-(3-chloro-2-phenylpropyl)-1-propan-2-yl-1,2,4-triazole
CID 66035466
1-(2,4-difluoro-5-methylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 115813820
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 104999438
2-methyl-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
CID 104846308
2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-ol
CID 82872185
1-(2,3-dimethylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999756
N-ethyl-2-(2-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 79434158
1-(2-fluoro-5-methylphenyl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999611
N-ethyl-1-(2-iodophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999681
[1-(2-methoxyphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105191233

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol?
The IUPAC name of 2-(2-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol (CID 79449251) is 2-(2-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol.
What is the SMILES notation for 2-(2-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol?
The canonical SMILES for 2-(2-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol is CC(C)n1ncnc1CC(CO)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol?
The InChIKey is PNBMENNLNQNQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-10(2)18-14(16-9-17-18)7-11(8-19)12-5-3-4-6-13(12)15/h3-6,9-11,19H,7-8H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol?
2-(2-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol has a molecular weight of 263.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol is sourced from PubChem (CID 79449251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).