1,1-bis(4-fluorophenyl)-3-methylbutan-2-one

C17H16F2O — CID 58378623

IUPAC1,1-bis(4-fluorophenyl)-3-methylbutan-2-one
SMILESCC(C)C(=O)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H16F2O/c1-11(2)17(20)16(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,16H,1-2H3
InChIKeyBMMVJYWJJUUVTG-UHFFFAOYSA-N
MW274.31 g/mol
LogP4.32
Rot. Bonds4

About 1,1-bis(4-fluorophenyl)-3-methylbutan-2-one

1,1-bis(4-fluorophenyl)-3-methylbutan-2-one (PubChem CID 58378623) has the molecular formula C17H16F2O and a molecular weight of 274.31 g/mol. Its IUPAC name is 1,1-bis(4-fluorophenyl)-3-methylbutan-2-one.

Molecular Properties

Compound Name1,1-bis(4-fluorophenyl)-3-methylbutan-2-one
PubChem CID58378623
Molecular FormulaC17H16F2O
Molecular Weight274.31 g/mol
Exact Mass274.12
IUPAC Name1,1-bis(4-fluorophenyl)-3-methylbutan-2-one
SMILESCC(C)C(=O)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H16F2O/c1-11(2)17(20)16(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,16H,1-2H3
InChIKeyBMMVJYWJJUUVTG-UHFFFAOYSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-3-methyl-1-phenylbutan-2-one
CID 79298499
3-[amino-(4-fluorophenyl)methyl]-5-methylhexane-2,4-dione
CID 59107352
(2R)-2-(4-fluorophenyl)propanoic acid
CID 7005040
(2R)-2-(4-fluorophenyl)propanoate
CID 7005039
2-(4-fluorophenyl)-2-phenylacetic acid
CID 3687814
1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one
CID 75056323
(2R)-2-(4-fluorophenyl)-3-methylbutanoic acid
CID 10888841
[(1S)-1-(4-fluorophenyl)ethyl] acetate
CID 11194691
1-(4-fluorophenyl)ethyl acetate
CID 11286838
3-(4-fluorophenyl)-2-hydroxybutanoic acid
CID 66287776
(2S)-2-(4-fluorophenyl)-3-methylbutanoyl chloride
CID 56635830
6-(4-fluorophenyl)-2-methyl-6-(4-methylphenyl)hexan-3-one
CID 58378560

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-fluorophenyl)-3-methylbutan-2-one?
The IUPAC name of 1,1-bis(4-fluorophenyl)-3-methylbutan-2-one (CID 58378623) is 1,1-bis(4-fluorophenyl)-3-methylbutan-2-one.
What is the SMILES notation for 1,1-bis(4-fluorophenyl)-3-methylbutan-2-one?
The canonical SMILES for 1,1-bis(4-fluorophenyl)-3-methylbutan-2-one is CC(C)C(=O)C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1,1-bis(4-fluorophenyl)-3-methylbutan-2-one?
The InChIKey is BMMVJYWJJUUVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O/c1-11(2)17(20)16(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,16H,1-2H3.
What are the key properties of 1,1-bis(4-fluorophenyl)-3-methylbutan-2-one?
1,1-bis(4-fluorophenyl)-3-methylbutan-2-one has a molecular weight of 274.31 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-fluorophenyl)-3-methylbutan-2-one is sourced from PubChem (CID 58378623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).