1-(3,4-difluorophenyl)-4-pyridin-4-ylbutan-2-ol

C15H15F2NO — CID 105121810

IUPAC1-(3,4-difluorophenyl)-4-pyridin-4-ylbutan-2-ol
SMILESOC(CCc1ccncc1)Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H15F2NO/c16-14-4-2-12(10-15(14)17)9-13(19)3-1-11-5-7-18-8-6-11/h2,4-8,10,13,19H,1,3,9H2
InChIKeyVDZLQRJLWXWYBR-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.90
Rot. Bonds5

About 1-(3,4-difluorophenyl)-4-pyridin-4-ylbutan-2-ol

1-(3,4-difluorophenyl)-4-pyridin-4-ylbutan-2-ol (PubChem CID 105121810) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-4-pyridin-4-ylbutan-2-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-4-pyridin-4-ylbutan-2-ol
PubChem CID105121810
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name1-(3,4-difluorophenyl)-4-pyridin-4-ylbutan-2-ol
SMILESOC(CCc1ccncc1)Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H15F2NO/c16-14-4-2-12(10-15(14)17)9-13(19)3-1-11-5-7-18-8-6-11/h2,4-8,10,13,19H,1,3,9H2
InChIKeyVDZLQRJLWXWYBR-UHFFFAOYSA-N
XLogP2.90
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 82919441
1-(5-chloro-2-fluorophenyl)-4-pyridin-4-ylbutan-2-ol
CID 103053358
1-amino-4-(3,4-difluorophenyl)butan-2-ol
CID 82282345
1-(2-chloro-5-fluorophenyl)-4-pyridin-4-ylbutan-2-ol
CID 102623110
1-(5-fluoro-2-methylphenyl)-4-pyridin-4-ylbutan-2-ol
CID 105377685
1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-ol
CID 105084500
2-(3,4-difluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol
CID 82919760
1-(3,4-difluorophenyl)pent-4-yn-2-ol
CID 115839997
1-(3,4-difluorophenyl)-4-phenoxybutan-2-ol
CID 82920706
6-methyl-1-pyridin-4-ylheptan-3-ol
CID 105085467
1-(2-fluoro-3-methoxyphenyl)-4-pyridin-4-ylbutan-2-ol
CID 105125656
1-(3-fluoro-4-methoxyphenyl)-4-pyridin-4-ylbutan-2-amine
CID 105122524

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-4-pyridin-4-ylbutan-2-ol?
The IUPAC name of 1-(3,4-difluorophenyl)-4-pyridin-4-ylbutan-2-ol (CID 105121810) is 1-(3,4-difluorophenyl)-4-pyridin-4-ylbutan-2-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-4-pyridin-4-ylbutan-2-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)-4-pyridin-4-ylbutan-2-ol is OC(CCc1ccncc1)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-4-pyridin-4-ylbutan-2-ol?
The InChIKey is VDZLQRJLWXWYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c16-14-4-2-12(10-15(14)17)9-13(19)3-1-11-5-7-18-8-6-11/h2,4-8,10,13,19H,1,3,9H2.
What are the key properties of 1-(3,4-difluorophenyl)-4-pyridin-4-ylbutan-2-ol?
1-(3,4-difluorophenyl)-4-pyridin-4-ylbutan-2-ol has a molecular weight of 263.29 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-4-pyridin-4-ylbutan-2-ol is sourced from PubChem (CID 105121810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).