1-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)propan-2-ol

C14H13F2NO — CID 114832951

IUPAC1-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)propan-2-ol
SMILESCC(O)(Cc1ccc(F)cc1)c1ccncc1F
InChIInChI=1S/C14H13F2NO/c1-14(18,12-6-7-17-9-13(12)16)8-10-2-4-11(15)5-3-10/h2-7,9,18H,8H2,1H3
InChIKeyPSMMHXHMFFROKW-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.81
Rot. Bonds3

About 1-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)propan-2-ol

1-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)propan-2-ol (PubChem CID 114832951) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)propan-2-ol
PubChem CID114832951
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name1-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)propan-2-ol
SMILESCC(O)(Cc1ccc(F)cc1)c1ccncc1F
InChIInChI=1S/C14H13F2NO/c1-14(18,12-6-7-17-9-13(12)16)8-10-2-4-11(15)5-3-10/h2-7,9,18H,8H2,1H3
InChIKeyPSMMHXHMFFROKW-UHFFFAOYSA-N
XLogP2.81
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-amino-3-pyridinyl)-1-(4-fluorophenyl)propan-2-ol
CID 114833173
4-amino-2-(3-fluoro-4-pyridinyl)butan-2-ol
CID 104739345
2-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-ol
CID 114833204
6,6,6-trifluoro-2-(3-fluoro-4-pyridinyl)hexan-2-ol
CID 116535810
2-(3-fluoro-4-pyridinyl)-4,4-dimethoxybutan-2-ol
CID 104737628
2-(3-fluoro-4-pyridinyl)-1-(propylamino)propan-2-ol
CID 104739354
2-(2-amino-3-pyridinyl)-1-(4-fluorophenyl)propan-2-ol
CID 114833119
1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol
CID 65144980
1-(4-fluorophenyl)-2-phenylpropan-2-ol
CID 53329553
1-(4-fluorophenyl)-2-methyl-3-pyridin-4-ylpropan-2-amine
CID 114833720
1-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanol
CID 104737502
1-(4-chlorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 83124840

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)propan-2-ol?
The IUPAC name of 1-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)propan-2-ol (CID 114832951) is 1-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)propan-2-ol?
The canonical SMILES for 1-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)propan-2-ol is CC(O)(Cc1ccc(F)cc1)c1ccncc1F.
What is the InChIKey of 1-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)propan-2-ol?
The InChIKey is PSMMHXHMFFROKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c1-14(18,12-6-7-17-9-13(12)16)8-10-2-4-11(15)5-3-10/h2-7,9,18H,8H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)propan-2-ol?
1-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)propan-2-ol has a molecular weight of 249.26 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)propan-2-ol is sourced from PubChem (CID 114832951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).