2-[4-(difluoromethyl)phenyl]-2,2-difluoro-1-phenylethanone

C15H10F4O — CID 126699875

IUPAC2-[4-(difluoromethyl)phenyl]-2,2-difluoro-1-phenylethanone
SMILESO=C(c1ccccc1)C(F)(F)c1ccc(C(F)F)cc1
InChIInChI=1S/C15H10F4O/c16-14(17)11-6-8-12(9-7-11)15(18,19)13(20)10-4-2-1-3-5-10/h1-9,14H
InChIKeyWSZMJHYISLFMGH-UHFFFAOYSA-N
MW282.24 g/mol
LogP4.60
Rot. Bonds4

About 2-[4-(difluoromethyl)phenyl]-2,2-difluoro-1-phenylethanone

2-[4-(difluoromethyl)phenyl]-2,2-difluoro-1-phenylethanone (PubChem CID 126699875) has the molecular formula C15H10F4O and a molecular weight of 282.24 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)phenyl]-2,2-difluoro-1-phenylethanone.

Molecular Properties

Compound Name2-[4-(difluoromethyl)phenyl]-2,2-difluoro-1-phenylethanone
PubChem CID126699875
Molecular FormulaC15H10F4O
Molecular Weight282.24 g/mol
Exact Mass282.07
IUPAC Name2-[4-(difluoromethyl)phenyl]-2,2-difluoro-1-phenylethanone
SMILESO=C(c1ccccc1)C(F)(F)c1ccc(C(F)F)cc1
InChIInChI=1S/C15H10F4O/c16-14(17)11-6-8-12(9-7-11)15(18,19)13(20)10-4-2-1-3-5-10/h1-9,14H
InChIKeyWSZMJHYISLFMGH-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-1,3-diphenylpropane-1,3-dione
CID 3317886
2-bromo-1-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 54412235
2-(3-chlorophenyl)-2,2-difluoro-1-phenylethanone
CID 167455502
(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 134967315
[fluoro(fluoro)methyl]benzene
CID 146164458
3,3-difluoro-2-methyl-2-(4-methylphenyl)-1-phenylpropan-1-one
CID 151177230
2-(1-fluoroethyl)-1,2,3-triphenylpropane-1,3-dione
CID 175526561
(2S,3R)-2-methoxy-1,2-diphenyl-3-[4-(trifluoromethyl)phenyl]pent-4-en-1-one
CID 132538275
2-hydroxy-3-oxo-2,3-diphenylpropanal
CID 87459670
(3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 101378731
2,2-difluoro-2-phenylacetic acid;silver
CID 87172236
2,2-difluoro-1-phenylbutane-1,3-dione
CID 14793037

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)phenyl]-2,2-difluoro-1-phenylethanone?
The IUPAC name of 2-[4-(difluoromethyl)phenyl]-2,2-difluoro-1-phenylethanone (CID 126699875) is 2-[4-(difluoromethyl)phenyl]-2,2-difluoro-1-phenylethanone.
What is the SMILES notation for 2-[4-(difluoromethyl)phenyl]-2,2-difluoro-1-phenylethanone?
The canonical SMILES for 2-[4-(difluoromethyl)phenyl]-2,2-difluoro-1-phenylethanone is O=C(c1ccccc1)C(F)(F)c1ccc(C(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethyl)phenyl]-2,2-difluoro-1-phenylethanone?
The InChIKey is WSZMJHYISLFMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4O/c16-14(17)11-6-8-12(9-7-11)15(18,19)13(20)10-4-2-1-3-5-10/h1-9,14H.
What are the key properties of 2-[4-(difluoromethyl)phenyl]-2,2-difluoro-1-phenylethanone?
2-[4-(difluoromethyl)phenyl]-2,2-difluoro-1-phenylethanone has a molecular weight of 282.24 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)phenyl]-2,2-difluoro-1-phenylethanone is sourced from PubChem (CID 126699875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).