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

C16H14ClFO — CID 146005749

IUPAC1-(4-chloro-3-fluorophenyl)-2-phenylbutan-1-one
SMILESCCC(C(=O)c1ccc(Cl)c(F)c1)c1ccccc1
InChIInChI=1S/C16H14ClFO/c1-2-13(11-6-4-3-5-7-11)16(19)12-8-9-14(17)15(18)10-12/h3-10,13H,2H2,1H3
InChIKeyZKQNMDYHMLWFSX-UHFFFAOYSA-N
MW276.74 g/mol
LogP4.86
Rot. Bonds4

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

1-(4-chloro-3-fluorophenyl)-2-phenylbutan-1-one (PubChem CID 146005749) has the molecular formula C16H14ClFO and a molecular weight of 276.74 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-2-phenylbutan-1-one.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-2-phenylbutan-1-one
PubChem CID146005749
Molecular FormulaC16H14ClFO
Molecular Weight276.74 g/mol
Exact Mass276.07
IUPAC Name1-(4-chloro-3-fluorophenyl)-2-phenylbutan-1-one
SMILESCCC(C(=O)c1ccc(Cl)c(F)c1)c1ccccc1
InChIInChI=1S/C16H14ClFO/c1-2-13(11-6-4-3-5-7-11)16(19)12-8-9-14(17)15(18)10-12/h3-10,13H,2H2,1H3
InChIKeyZKQNMDYHMLWFSX-UHFFFAOYSA-N
XLogP4.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-ethylphenyl)-2-phenylbutan-1-one
CID 146008361
1-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylbutan-1-one
CID 146008511
1-(4-fluoro-3-methoxyphenyl)-2-phenylbutan-1-one
CID 146006844
1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylbutan-1-one
CID 81045808
1-(4-chloro-3-fluorophenyl)-2-methylpentan-1-one
CID 107996960
1-(2-chloro-5-methylphenyl)-2-phenylbutan-1-one
CID 146009774
(2R)-1-(4-hydroxyphenyl)-2-phenylbutan-1-one
CID 914909
(2S)-1-(3-hydroxyphenyl)-2-phenylbutan-1-one
CID 125480458
2-phenyl-1-(3-propan-2-ylphenyl)butan-1-one
CID 146007205
1-(2,6-difluorophenyl)-2-phenylbutan-1-one
CID 114972889
1-(4-iodophenyl)-2-phenylbutan-1-one
CID 11772471
4-chloro-3-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 103944860

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-phenylbutan-1-one?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-phenylbutan-1-one (CID 146005749) is 1-(4-chloro-3-fluorophenyl)-2-phenylbutan-1-one.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-2-phenylbutan-1-one?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-2-phenylbutan-1-one is CCC(C(=O)c1ccc(Cl)c(F)c1)c1ccccc1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-2-phenylbutan-1-one?
The InChIKey is ZKQNMDYHMLWFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO/c1-2-13(11-6-4-3-5-7-11)16(19)12-8-9-14(17)15(18)10-12/h3-10,13H,2H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-2-phenylbutan-1-one?
1-(4-chloro-3-fluorophenyl)-2-phenylbutan-1-one has a molecular weight of 276.74 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-2-phenylbutan-1-one is sourced from PubChem (CID 146005749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).