1-(3-fluorophenyl)-2-(3-methyltriazol-4-yl)propan-2-ol

C12H14FN3O — CID 114833392

IUPAC1-(3-fluorophenyl)-2-(3-methyltriazol-4-yl)propan-2-ol
SMILESCn1nncc1C(C)(O)Cc1cccc(F)c1
InChIInChI=1S/C12H14FN3O/c1-12(17,11-8-14-15-16(11)2)7-9-4-3-5-10(13)6-9/h3-6,8,17H,7H2,1-2H3
InChIKeySCDKYFAAJUVQLR-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.40
Rot. Bonds3

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

1-(3-fluorophenyl)-2-(3-methyltriazol-4-yl)propan-2-ol (PubChem CID 114833392) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(3-methyltriazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(3-methyltriazol-4-yl)propan-2-ol
PubChem CID114833392
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name1-(3-fluorophenyl)-2-(3-methyltriazol-4-yl)propan-2-ol
SMILESCn1nncc1C(C)(O)Cc1cccc(F)c1
InChIInChI=1S/C12H14FN3O/c1-12(17,11-8-14-15-16(11)2)7-9-4-3-5-10(13)6-9/h3-6,8,17H,7H2,1-2H3
InChIKeySCDKYFAAJUVQLR-UHFFFAOYSA-N
XLogP1.40
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)propan-2-ol
CID 103130348
2-(5-fluoro-2-methylphenyl)-1-(3-fluorophenyl)propan-2-ol
CID 114833350
1-(3-fluorophenyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107046487
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
1-(3-ethyltriazol-4-yl)-1-(3-fluorophenyl)ethanol
CID 114212982
1-(3-fluorophenyl)-2,3-dimethylbut-3-en-2-ol
CID 114833422
1-(3,5-difluorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 105402440
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833403
1-[3-(3-fluorophenyl)triazol-4-yl]-2-methylpropan-2-ol
CID 117167225
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833226
2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-ol
CID 66060199

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(3-methyltriazol-4-yl)propan-2-ol?
The IUPAC name of 1-(3-fluorophenyl)-2-(3-methyltriazol-4-yl)propan-2-ol (CID 114833392) is 1-(3-fluorophenyl)-2-(3-methyltriazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(3-methyltriazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(3-fluorophenyl)-2-(3-methyltriazol-4-yl)propan-2-ol is Cn1nncc1C(C)(O)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(3-methyltriazol-4-yl)propan-2-ol?
The InChIKey is SCDKYFAAJUVQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-12(17,11-8-14-15-16(11)2)7-9-4-3-5-10(13)6-9/h3-6,8,17H,7H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-2-(3-methyltriazol-4-yl)propan-2-ol?
1-(3-fluorophenyl)-2-(3-methyltriazol-4-yl)propan-2-ol has a molecular weight of 235.26 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(3-methyltriazol-4-yl)propan-2-ol is sourced from PubChem (CID 114833392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).