2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-phenyl-2-pyridinyl)butan-2-ol

C21H17F4NO — CID 58554527

IUPAC2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-phenyl-2-pyridinyl)butan-2-ol
SMILESCCC(O)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C21H17F4NO/c1-2-20(27,17-10-9-16(22)12-18(17)23)21(24,25)19-11-8-15(13-26-19)14-6-4-3-5-7-14/h3-13,27H,2H2,1H3
InChIKeyHGPVTOLXEHJZJV-UHFFFAOYSA-N
MW375.37 g/mol
LogP5.42
Rot. Bonds5

About 2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-phenyl-2-pyridinyl)butan-2-ol

2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-phenyl-2-pyridinyl)butan-2-ol (PubChem CID 58554527) has the molecular formula C21H17F4NO and a molecular weight of 375.37 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-phenyl-2-pyridinyl)butan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-phenyl-2-pyridinyl)butan-2-ol
PubChem CID58554527
Molecular FormulaC21H17F4NO
Molecular Weight375.37 g/mol
Exact Mass375.12
IUPAC Name2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-phenyl-2-pyridinyl)butan-2-ol
SMILESCCC(O)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C21H17F4NO/c1-2-20(27,17-10-9-16(22)12-18(17)23)21(24,25)19-11-8-15(13-26-19)14-6-4-3-5-7-14/h3-13,27H,2H2,1H3
InChIKeyHGPVTOLXEHJZJV-UHFFFAOYSA-N
XLogP5.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.37
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-phenyl-2-pyridinyl)butan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-phenyl-2-pyridinyl)butan-2-ol (CID 58554527) is 2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-phenyl-2-pyridinyl)butan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-phenyl-2-pyridinyl)butan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-phenyl-2-pyridinyl)butan-2-ol is CCC(O)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccccc2)cn1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-phenyl-2-pyridinyl)butan-2-ol?
The InChIKey is HGPVTOLXEHJZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4NO/c1-2-20(27,17-10-9-16(22)12-18(17)23)21(24,25)19-11-8-15(13-26-19)14-6-4-3-5-7-14/h3-13,27H,2H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-phenyl-2-pyridinyl)butan-2-ol?
2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-phenyl-2-pyridinyl)butan-2-ol has a molecular weight of 375.37 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-phenyl-2-pyridinyl)butan-2-ol is sourced from PubChem (CID 58554527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).