1-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-one

C15H12ClFO — CID 114029059

IUPAC1-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-one
SMILESCC(C(=O)c1cc(F)ccc1Cl)c1ccccc1
InChIInChI=1S/C15H12ClFO/c1-10(11-5-3-2-4-6-11)15(18)13-9-12(17)7-8-14(13)16/h2-10H,1H3
InChIKeyGPMGPCGSFWICFD-UHFFFAOYSA-N
MW262.71 g/mol
LogP4.47
Rot. Bonds3

About 1-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-one

1-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-one (PubChem CID 114029059) has the molecular formula C15H12ClFO and a molecular weight of 262.71 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-one
PubChem CID114029059
Molecular FormulaC15H12ClFO
Molecular Weight262.71 g/mol
Exact Mass262.06
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-one
SMILESCC(C(=O)c1cc(F)ccc1Cl)c1ccccc1
InChIInChI=1S/C15H12ClFO/c1-10(11-5-3-2-4-6-11)15(18)13-9-12(17)7-8-14(13)16/h2-10H,1H3
InChIKeyGPMGPCGSFWICFD-UHFFFAOYSA-N
XLogP4.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-1-one
CID 105396542
1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one
CID 105394181
2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one
CID 118804223
1-(2-chloro-5-fluorophenyl)-2-ethoxy-2-phenylethanone
CID 105394415
1-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol
CID 105393869
4-amino-1-(2-chloro-5-fluorophenyl)-4-phenylbutan-1-one
CID 105396454
propan-2-yl 2-chloro-5-fluorobenzoate
CID 130658316
2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid
CID 117291128
(2R)-1-(4-chlorophenyl)-2-phenylpropan-1-one
CID 86308998
1-(2-chloro-5-fluorophenyl)-2-phenylethanone
CID 105394173
acetic acid;1,2-dichloro-4-fluorobenzene
CID 174538740
2-chloro-4-fluorobenzoic acid;2-chloro-5-fluorobenzoic acid
CID 159908135

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-one?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-one (CID 114029059) is 1-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-one.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-one?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-one is CC(C(=O)c1cc(F)ccc1Cl)c1ccccc1.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-one?
The InChIKey is GPMGPCGSFWICFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO/c1-10(11-5-3-2-4-6-11)15(18)13-9-12(17)7-8-14(13)16/h2-10H,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-one?
1-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-one has a molecular weight of 262.71 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-one is sourced from PubChem (CID 114029059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).