2,2-difluoro-3-hydroxy-1-phenyl-3-pyridin-2-ylpropan-1-one

C14H11F2NO2 — CID 164672038

IUPAC2,2-difluoro-3-hydroxy-1-phenyl-3-pyridin-2-ylpropan-1-one
SMILESO=C(c1ccccc1)C(F)(F)C(O)c1ccccn1
InChIInChI=1S/C14H11F2NO2/c15-14(16,12(18)10-6-2-1-3-7-10)13(19)11-8-4-5-9-17-11/h1-9,13,19H
InChIKeyVFPAPDATTCFZMY-UHFFFAOYSA-N
MW263.24 g/mol
LogP2.63
Rot. Bonds4

About 2,2-difluoro-3-hydroxy-1-phenyl-3-pyridin-2-ylpropan-1-one

2,2-difluoro-3-hydroxy-1-phenyl-3-pyridin-2-ylpropan-1-one (PubChem CID 164672038) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is 2,2-difluoro-3-hydroxy-1-phenyl-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name2,2-difluoro-3-hydroxy-1-phenyl-3-pyridin-2-ylpropan-1-one
PubChem CID164672038
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name2,2-difluoro-3-hydroxy-1-phenyl-3-pyridin-2-ylpropan-1-one
SMILESO=C(c1ccccc1)C(F)(F)C(O)c1ccccn1
InChIInChI=1S/C14H11F2NO2/c15-14(16,12(18)10-6-2-1-3-7-10)13(19)11-8-4-5-9-17-11/h1-9,13,19H
InChIKeyVFPAPDATTCFZMY-UHFFFAOYSA-N
XLogP2.63
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 134967315
2,2,2-trichloro-1-pyridin-2-ylethanol
CID 3066911
2,2-difluoro-3-hydroxy-4-methyl-1-phenylpentan-1-one
CID 10513528
N-(dipyridin-2-ylmethyl)-2,2,2-trifluoroacetamide
CID 102416830
3,3,3-trifluoro-2-pyridin-2-ylpropanamide
CID 174447442
4,4,4-trifluoro-3-pyridin-2-ylbutanoic acid
CID 82534716
ethane;2-methyl-1-phenyl-2-pyridin-2-ylpropan-1-one
CID 91491715
2,2-difluoro-1,3-diphenylpropane-1,3-dione
CID 3317886
(2R)-1-(4-fluorophenyl)-2-phenyl-2-pyridin-2-ylethanone
CID 129396295
(2-oxo-2-phenyl-1-pyridin-2-ylethyl) acetate
CID 11780090
2-iodo-2-pyridin-2-ylacetic acid
CID 143887294
3-chloro-3-pyridin-2-ylpropanoic acid
CID 82366804

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-hydroxy-1-phenyl-3-pyridin-2-ylpropan-1-one?
The IUPAC name of 2,2-difluoro-3-hydroxy-1-phenyl-3-pyridin-2-ylpropan-1-one (CID 164672038) is 2,2-difluoro-3-hydroxy-1-phenyl-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 2,2-difluoro-3-hydroxy-1-phenyl-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for 2,2-difluoro-3-hydroxy-1-phenyl-3-pyridin-2-ylpropan-1-one is O=C(c1ccccc1)C(F)(F)C(O)c1ccccn1.
What is the InChIKey of 2,2-difluoro-3-hydroxy-1-phenyl-3-pyridin-2-ylpropan-1-one?
The InChIKey is VFPAPDATTCFZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c15-14(16,12(18)10-6-2-1-3-7-10)13(19)11-8-4-5-9-17-11/h1-9,13,19H.
What are the key properties of 2,2-difluoro-3-hydroxy-1-phenyl-3-pyridin-2-ylpropan-1-one?
2,2-difluoro-3-hydroxy-1-phenyl-3-pyridin-2-ylpropan-1-one has a molecular weight of 263.24 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-hydroxy-1-phenyl-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 164672038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).