1-(3,4-difluoro-5-phenylphenyl)ethanone

C14H10F2O — CID 117335912

IUPAC1-(3,4-difluoro-5-phenylphenyl)ethanone
SMILESCC(=O)c1cc(F)c(F)c(-c2ccccc2)c1
InChIInChI=1S/C14H10F2O/c1-9(17)11-7-12(14(16)13(15)8-11)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyWTFQHCUASQNNES-UHFFFAOYSA-N
MW232.23 g/mol
LogP3.83
Rot. Bonds2

About 1-(3,4-difluoro-5-phenylphenyl)ethanone

1-(3,4-difluoro-5-phenylphenyl)ethanone (PubChem CID 117335912) has the molecular formula C14H10F2O and a molecular weight of 232.23 g/mol. Its IUPAC name is 1-(3,4-difluoro-5-phenylphenyl)ethanone.

Molecular Properties

Compound Name1-(3,4-difluoro-5-phenylphenyl)ethanone
PubChem CID117335912
Molecular FormulaC14H10F2O
Molecular Weight232.23 g/mol
Exact Mass232.07
IUPAC Name1-(3,4-difluoro-5-phenylphenyl)ethanone
SMILESCC(=O)c1cc(F)c(F)c(-c2ccccc2)c1
InChIInChI=1S/C14H10F2O/c1-9(17)11-7-12(14(16)13(15)8-11)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyWTFQHCUASQNNES-UHFFFAOYSA-N
XLogP3.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-azulen-2-ylethanone
CID 15255141
1-[4-(5-acetyl-2-phenylphenyl)phenyl]ethanone
CID 141053686
2-(3,4-difluoro-5-phenylphenyl)acetic acid
CID 117372910
3-(3,4-difluoro-5-phenylphenyl)-2-methylpropanoic acid
CID 117442171
1-[4-phenyl-3-(trifluoromethyl)phenyl]ethanone
CID 118411799
2-amino-3-(3,4-difluoro-5-phenylphenyl)propanoic acid
CID 117443881
ethane;1-[4-fluoro-3-(2-fluorophenyl)-5-methylphenyl]ethanone
CID 145105680
(4-phenylphenyl)-(3,4,5-trifluorophenyl)methanone
CID 146008045
1-(5-fluoro-2-methoxy-4-phenylphenyl)ethanone
CID 176614232
1-phenyl-2-(3,4,5-trifluorophenyl)ethane-1,2-dione
CID 58625844
1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone
CID 118329320
1-[4-chloro-3-(3,4,5-trifluorophenyl)phenyl]ethanone
CID 172651113

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluoro-5-phenylphenyl)ethanone?
The IUPAC name of 1-(3,4-difluoro-5-phenylphenyl)ethanone (CID 117335912) is 1-(3,4-difluoro-5-phenylphenyl)ethanone.
What is the SMILES notation for 1-(3,4-difluoro-5-phenylphenyl)ethanone?
The canonical SMILES for 1-(3,4-difluoro-5-phenylphenyl)ethanone is CC(=O)c1cc(F)c(F)c(-c2ccccc2)c1.
What is the InChIKey of 1-(3,4-difluoro-5-phenylphenyl)ethanone?
The InChIKey is WTFQHCUASQNNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O/c1-9(17)11-7-12(14(16)13(15)8-11)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 1-(3,4-difluoro-5-phenylphenyl)ethanone?
1-(3,4-difluoro-5-phenylphenyl)ethanone has a molecular weight of 232.23 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluoro-5-phenylphenyl)ethanone is sourced from PubChem (CID 117335912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).