1,1-difluoro-1-(4-phenylphenyl)propan-2-one

C15H12F2O — CID 71022279

IUPAC1,1-difluoro-1-(4-phenylphenyl)propan-2-one
SMILESCC(=O)C(F)(F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H12F2O/c1-11(18)15(16,17)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyJZLJUEGMHOBJHJ-UHFFFAOYSA-N
MW246.26 g/mol
LogP4.03
Rot. Bonds3

About 1,1-difluoro-1-(4-phenylphenyl)propan-2-one

1,1-difluoro-1-(4-phenylphenyl)propan-2-one (PubChem CID 71022279) has the molecular formula C15H12F2O and a molecular weight of 246.26 g/mol. Its IUPAC name is 1,1-difluoro-1-(4-phenylphenyl)propan-2-one.

Molecular Properties

Compound Name1,1-difluoro-1-(4-phenylphenyl)propan-2-one
PubChem CID71022279
Molecular FormulaC15H12F2O
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name1,1-difluoro-1-(4-phenylphenyl)propan-2-one
SMILESCC(=O)C(F)(F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H12F2O/c1-11(18)15(16,17)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyJZLJUEGMHOBJHJ-UHFFFAOYSA-N
XLogP4.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-difluoro-1-(4-fluorophenyl)propan-2-one
CID 83854791
sodium;2-fluoro-2-(4-phenylphenyl)propanoate;dihydrate
CID 69241749
methyl (2S)-2,3,3,3-tetrafluoro-2-(4-phenylphenyl)propanoate
CID 98040440
acetic acid;1,1'-biphenyl;ethane
CID 91464981
acetic acid;1,1'-biphenyl;zinc
CID 70522083
[4-(1,1-difluoro-2-oxopropyl)phenyl]methylcarbamic acid
CID 134309125
2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetic acid
CID 22575053
1-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]propan-2-one
CID 59226926
2,2,3-trifluoro-3-(4-phenylphenyl)pentanamide
CID 69092136
1-(4-phenylphenyl)ethane-1,1-diol
CID 67813476
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 1,1-difluoro-1-(4-phenylphenyl)propan-2-one?
The IUPAC name of 1,1-difluoro-1-(4-phenylphenyl)propan-2-one (CID 71022279) is 1,1-difluoro-1-(4-phenylphenyl)propan-2-one.
What is the SMILES notation for 1,1-difluoro-1-(4-phenylphenyl)propan-2-one?
The canonical SMILES for 1,1-difluoro-1-(4-phenylphenyl)propan-2-one is CC(=O)C(F)(F)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1-difluoro-1-(4-phenylphenyl)propan-2-one?
The InChIKey is JZLJUEGMHOBJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O/c1-11(18)15(16,17)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 1,1-difluoro-1-(4-phenylphenyl)propan-2-one?
1,1-difluoro-1-(4-phenylphenyl)propan-2-one has a molecular weight of 246.26 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-(4-phenylphenyl)propan-2-one is sourced from PubChem (CID 71022279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).