1-(4-chlorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol

C14H13ClFNO — CID 83124840

IUPAC1-(4-chlorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
SMILESCC(O)(Cc1ccc(Cl)cc1)c1ccc(F)cn1
InChIInChI=1S/C14H13ClFNO/c1-14(18,13-7-6-12(16)9-17-13)8-10-2-4-11(15)5-3-10/h2-7,9,18H,8H2,1H3
InChIKeyZKUDOXWDOZOYCJ-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.32
Rot. Bonds3

About 1-(4-chlorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol

1-(4-chlorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol (PubChem CID 83124840) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
PubChem CID83124840
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name1-(4-chlorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
SMILESCC(O)(Cc1ccc(Cl)cc1)c1ccc(F)cn1
InChIInChI=1S/C14H13ClFNO/c1-14(18,13-7-6-12(16)9-17-13)8-10-2-4-11(15)5-3-10/h2-7,9,18H,8H2,1H3
InChIKeyZKUDOXWDOZOYCJ-UHFFFAOYSA-N
XLogP3.32
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol?
The IUPAC name of 1-(4-chlorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol (CID 83124840) is 1-(4-chlorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol is CC(O)(Cc1ccc(Cl)cc1)c1ccc(F)cn1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol?
The InChIKey is ZKUDOXWDOZOYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-14(18,13-7-6-12(16)9-17-13)8-10-2-4-11(15)5-3-10/h2-7,9,18H,8H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol?
1-(4-chlorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol has a molecular weight of 265.72 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 83124840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).