1-(3-fluoro-4-phenylphenyl)-2-methylbutan-1-one

C17H17FO — CID 146006704

IUPAC1-(3-fluoro-4-phenylphenyl)-2-methylbutan-1-one
SMILESCCC(C)C(=O)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C17H17FO/c1-3-12(2)17(19)14-9-10-15(16(18)11-14)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3
InChIKeyGDVZSFBFDSQHHW-UHFFFAOYSA-N
MW256.32 g/mol
LogP4.72
Rot. Bonds4

About 1-(3-fluoro-4-phenylphenyl)-2-methylbutan-1-one

1-(3-fluoro-4-phenylphenyl)-2-methylbutan-1-one (PubChem CID 146006704) has the molecular formula C17H17FO and a molecular weight of 256.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-phenylphenyl)-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-4-phenylphenyl)-2-methylbutan-1-one
PubChem CID146006704
Molecular FormulaC17H17FO
Molecular Weight256.32 g/mol
Exact Mass256.13
IUPAC Name1-(3-fluoro-4-phenylphenyl)-2-methylbutan-1-one
SMILESCCC(C)C(=O)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C17H17FO/c1-3-12(2)17(19)14-9-10-15(16(18)11-14)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3
InChIKeyGDVZSFBFDSQHHW-UHFFFAOYSA-N
XLogP4.72
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 ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dichloro-1-(3-fluoro-4-phenylphenyl)ethanone
CID 146006688
1-(4-bromo-3-fluorophenyl)-2-methylbutan-1-one
CID 115788058
ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate
CID 95242614
2,2,2-trichloro-1-(3-fluoro-4-phenylphenyl)ethanone
CID 146006687
1-bromopentane;2-(3-fluoro-4-phenylphenyl)propanoic acid
CID 174803768
sodium;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
CID 172995337
2-(3-fluoro-4-phenylphenyl)propanoyl chloride
CID 11032707
benzyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 16753995
2-[[2-[4-(2-methylbutanoyl)phenyl]phenyl]methyl]butanoic acid
CID 67826120
1-(4-chloro-3-fluorophenyl)-2-phenylbutan-1-one
CID 146005749
1-(3,4-dichlorophenyl)-2-methylbutan-1-one
CID 43344477
4-bromobutyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 52936826

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-phenylphenyl)-2-methylbutan-1-one?
The IUPAC name of 1-(3-fluoro-4-phenylphenyl)-2-methylbutan-1-one (CID 146006704) is 1-(3-fluoro-4-phenylphenyl)-2-methylbutan-1-one.
What is the SMILES notation for 1-(3-fluoro-4-phenylphenyl)-2-methylbutan-1-one?
The canonical SMILES for 1-(3-fluoro-4-phenylphenyl)-2-methylbutan-1-one is CCC(C)C(=O)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-phenylphenyl)-2-methylbutan-1-one?
The InChIKey is GDVZSFBFDSQHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO/c1-3-12(2)17(19)14-9-10-15(16(18)11-14)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-phenylphenyl)-2-methylbutan-1-one?
1-(3-fluoro-4-phenylphenyl)-2-methylbutan-1-one has a molecular weight of 256.32 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-phenylphenyl)-2-methylbutan-1-one is sourced from PubChem (CID 146006704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).