5-[3-(2,4-difluorophenyl)phenyl]-2-pyridin-2-ylpentan-2-ol

C22H21F2NO — CID 58109152

IUPAC5-[3-(2,4-difluorophenyl)phenyl]-2-pyridin-2-ylpentan-2-ol
SMILESCC(O)(CCCc1cccc(-c2ccc(F)cc2F)c1)c1ccccn1
InChIInChI=1S/C22H21F2NO/c1-22(26,21-9-2-3-13-25-21)12-5-7-16-6-4-8-17(14-16)19-11-10-18(23)15-20(19)24/h2-4,6,8-11,13-15,26H,5,7,12H2,1H3
InChIKeyDCSNRRIGGQCXPA-UHFFFAOYSA-N
MW353.41 g/mol
LogP5.26
Rot. Bonds6

About 5-[3-(2,4-difluorophenyl)phenyl]-2-pyridin-2-ylpentan-2-ol

5-[3-(2,4-difluorophenyl)phenyl]-2-pyridin-2-ylpentan-2-ol (PubChem CID 58109152) has the molecular formula C22H21F2NO and a molecular weight of 353.41 g/mol. Its IUPAC name is 5-[3-(2,4-difluorophenyl)phenyl]-2-pyridin-2-ylpentan-2-ol.

Molecular Properties

Compound Name5-[3-(2,4-difluorophenyl)phenyl]-2-pyridin-2-ylpentan-2-ol
PubChem CID58109152
Molecular FormulaC22H21F2NO
Molecular Weight353.41 g/mol
Exact Mass353.16
IUPAC Name5-[3-(2,4-difluorophenyl)phenyl]-2-pyridin-2-ylpentan-2-ol
SMILESCC(O)(CCCc1cccc(-c2ccc(F)cc2F)c1)c1ccccn1
InChIInChI=1S/C22H21F2NO/c1-22(26,21-9-2-3-13-25-21)12-5-7-16-6-4-8-17(14-16)19-11-10-18(23)15-20(19)24/h2-4,6,8-11,13-15,26H,5,7,12H2,1H3
InChIKeyDCSNRRIGGQCXPA-UHFFFAOYSA-N
XLogP5.26
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.41
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,4-difluorophenyl)phenyl]-2-pyridin-2-ylpentan-2-ol?
The IUPAC name of 5-[3-(2,4-difluorophenyl)phenyl]-2-pyridin-2-ylpentan-2-ol (CID 58109152) is 5-[3-(2,4-difluorophenyl)phenyl]-2-pyridin-2-ylpentan-2-ol.
What is the SMILES notation for 5-[3-(2,4-difluorophenyl)phenyl]-2-pyridin-2-ylpentan-2-ol?
The canonical SMILES for 5-[3-(2,4-difluorophenyl)phenyl]-2-pyridin-2-ylpentan-2-ol is CC(O)(CCCc1cccc(-c2ccc(F)cc2F)c1)c1ccccn1.
What is the InChIKey of 5-[3-(2,4-difluorophenyl)phenyl]-2-pyridin-2-ylpentan-2-ol?
The InChIKey is DCSNRRIGGQCXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2NO/c1-22(26,21-9-2-3-13-25-21)12-5-7-16-6-4-8-17(14-16)19-11-10-18(23)15-20(19)24/h2-4,6,8-11,13-15,26H,5,7,12H2,1H3.
What are the key properties of 5-[3-(2,4-difluorophenyl)phenyl]-2-pyridin-2-ylpentan-2-ol?
5-[3-(2,4-difluorophenyl)phenyl]-2-pyridin-2-ylpentan-2-ol has a molecular weight of 353.41 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,4-difluorophenyl)phenyl]-2-pyridin-2-ylpentan-2-ol is sourced from PubChem (CID 58109152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).