1-(4-fluorophenyl)-3-methyl-1-phenylbutan-2-one

C17H17FO — CID 79298499

IUPAC1-(4-fluorophenyl)-3-methyl-1-phenylbutan-2-one
SMILESCC(C)C(=O)C(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H17FO/c1-12(2)17(19)16(13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h3-12,16H,1-2H3
InChIKeyJASOUJRQLVHOIE-UHFFFAOYSA-N
MW256.32 g/mol
LogP4.18
Rot. Bonds4

About 1-(4-fluorophenyl)-3-methyl-1-phenylbutan-2-one

1-(4-fluorophenyl)-3-methyl-1-phenylbutan-2-one (PubChem CID 79298499) has the molecular formula C17H17FO and a molecular weight of 256.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methyl-1-phenylbutan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methyl-1-phenylbutan-2-one
PubChem CID79298499
Molecular FormulaC17H17FO
Molecular Weight256.32 g/mol
Exact Mass256.13
IUPAC Name1-(4-fluorophenyl)-3-methyl-1-phenylbutan-2-one
SMILESCC(C)C(=O)C(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H17FO/c1-12(2)17(19)16(13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h3-12,16H,1-2H3
InChIKeyJASOUJRQLVHOIE-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-bis(4-fluorophenyl)-3-methylbutan-2-one
CID 58378623
2-(4-fluorophenyl)-2-phenylacetic acid
CID 3687814
3-hydroxy-1,1-diphenylbutan-2-one
CID 91337190
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 11414229
(2R)-2-(4-fluorophenyl)propanoic acid
CID 7005040
ethene;1-fluoro-4-(1-phenylethyl)benzene
CID 144850475
(1R,2R)-1-(4-fluorophenyl)-2-phenylpropan-1-ol
CID 134955278
[(2S)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 8578892
1-chloro-3-methyl-1-phenylbutan-2-one
CID 79006597
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
2-(4-fluoroanilino)-3-phenylbutanoic acid
CID 61305744

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methyl-1-phenylbutan-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-methyl-1-phenylbutan-2-one (CID 79298499) is 1-(4-fluorophenyl)-3-methyl-1-phenylbutan-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methyl-1-phenylbutan-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-methyl-1-phenylbutan-2-one is CC(C)C(=O)C(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-methyl-1-phenylbutan-2-one?
The InChIKey is JASOUJRQLVHOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO/c1-12(2)17(19)16(13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h3-12,16H,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-methyl-1-phenylbutan-2-one?
1-(4-fluorophenyl)-3-methyl-1-phenylbutan-2-one has a molecular weight of 256.32 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methyl-1-phenylbutan-2-one is sourced from PubChem (CID 79298499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).