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

C9H7F3O — CID 83854791

IUPAC1,1-difluoro-1-(4-fluorophenyl)propan-2-one
SMILESCC(=O)C(F)(F)c1ccc(F)cc1
InChIInChI=1S/C9H7F3O/c1-6(13)9(11,12)7-2-4-8(10)5-3-7/h2-5H,1H3
InChIKeyLZWBJSOFOZPBLF-UHFFFAOYSA-N
MW188.15 g/mol
LogP2.51
Rot. Bonds2

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

1,1-difluoro-1-(4-fluorophenyl)propan-2-one (PubChem CID 83854791) has the molecular formula C9H7F3O and a molecular weight of 188.15 g/mol. Its IUPAC name is 1,1-difluoro-1-(4-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1,1-difluoro-1-(4-fluorophenyl)propan-2-one
PubChem CID83854791
Molecular FormulaC9H7F3O
Molecular Weight188.15 g/mol
Exact Mass188.04
IUPAC Name1,1-difluoro-1-(4-fluorophenyl)propan-2-one
SMILESCC(=O)C(F)(F)c1ccc(F)cc1
InChIInChI=1S/C9H7F3O/c1-6(13)9(11,12)7-2-4-8(10)5-3-7/h2-5H,1H3
InChIKeyLZWBJSOFOZPBLF-UHFFFAOYSA-N
XLogP2.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-difluoro-1-(4-phenylphenyl)propan-2-one
CID 71022279
(2S)-2-azaniumyl-3-[4-(1,1-difluoro-2-oxopropyl)phenyl]propanoate
CID 59658371
[4-(1,1-difluoro-2-oxopropyl)phenyl]methylcarbamic acid
CID 134309125
2-fluoro-2-(4-fluorophenyl)propanedioic acid
CID 139618704
1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-yl]phenyl]ethanone
CID 21200809
bromomethane;2-fluoro-2,2-bis(4-fluorophenyl)acetate
CID 20636363
2-fluoro-2,2-bis(4-fluorophenyl)acetate
CID 20636369
1-(2,4-difluorophenyl)-1-(4-fluorophenyl)-1-phenylpropan-2-one
CID 59226934
2-bromo-2-(4-fluorophenyl)propanal
CID 174941375
2,2,2-tris(4-fluorophenyl)acetic acid
CID 91545050
(4-tert-butylphenyl)-diphenylsulfanium;4-fluorobenzoate
CID 87756598
2-amino-3-fluoro-2-(4-fluorophenyl)-3-methylbutanoic acid
CID 105486323

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-(4-fluorophenyl)propan-2-one?
The IUPAC name of 1,1-difluoro-1-(4-fluorophenyl)propan-2-one (CID 83854791) is 1,1-difluoro-1-(4-fluorophenyl)propan-2-one.
What is the SMILES notation for 1,1-difluoro-1-(4-fluorophenyl)propan-2-one?
The canonical SMILES for 1,1-difluoro-1-(4-fluorophenyl)propan-2-one is CC(=O)C(F)(F)c1ccc(F)cc1.
What is the InChIKey of 1,1-difluoro-1-(4-fluorophenyl)propan-2-one?
The InChIKey is LZWBJSOFOZPBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O/c1-6(13)9(11,12)7-2-4-8(10)5-3-7/h2-5H,1H3.
What are the key properties of 1,1-difluoro-1-(4-fluorophenyl)propan-2-one?
1,1-difluoro-1-(4-fluorophenyl)propan-2-one has a molecular weight of 188.15 g/mol, XLogP of 2.51, 2 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-fluorophenyl)propan-2-one is sourced from PubChem (CID 83854791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).