1-(2-chloro-4-fluorophenyl)-2-(4-ethylphenyl)ethanone

C16H14ClFO — CID 63410277

IUPAC1-(2-chloro-4-fluorophenyl)-2-(4-ethylphenyl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C16H14ClFO/c1-2-11-3-5-12(6-4-11)9-16(19)14-8-7-13(18)10-15(14)17/h3-8,10H,2,9H2,1H3
InChIKeySCSUXOWAYADNMF-UHFFFAOYSA-N
MW276.74 g/mol
LogP4.47
Rot. Bonds4

About 1-(2-chloro-4-fluorophenyl)-2-(4-ethylphenyl)ethanone

1-(2-chloro-4-fluorophenyl)-2-(4-ethylphenyl)ethanone (PubChem CID 63410277) has the molecular formula C16H14ClFO and a molecular weight of 276.74 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-2-(4-ethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-2-(4-ethylphenyl)ethanone
PubChem CID63410277
Molecular FormulaC16H14ClFO
Molecular Weight276.74 g/mol
Exact Mass276.07
IUPAC Name1-(2-chloro-4-fluorophenyl)-2-(4-ethylphenyl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C16H14ClFO/c1-2-11-3-5-12(6-4-11)9-16(19)14-8-7-13(18)10-15(14)17/h3-8,10H,2,9H2,1H3
InChIKeySCSUXOWAYADNMF-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-chlorophenyl)-2-(4-ethylphenyl)ethanone
CID 114963420
1-(2-chloro-4-fluorophenyl)propan-1-one
CID 19009630
1-(2-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanone
CID 61054868
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone
CID 62945008
1-(2-chloro-4-methylphenyl)-2-(4-methylphenyl)ethanone
CID 106861498
1-(2-chloro-5-fluorophenyl)-2-phenylethanone
CID 105394173
1-(2-chloro-4-fluorophenyl)-3,3-dimethylbutan-1-one
CID 146009446
1-(2-chloro-4-fluorophenyl)-2-(1-hydroxy-3,3-dimethyl-2H-1-benzoborol-6-yl)ethanone
CID 158982385
1-(2,4-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 43337683
1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 115736507
1-(2-chloro-4-fluorophenyl)-3-methylbut-3-en-1-one
CID 79178672

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-(4-ethylphenyl)ethanone?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-(4-ethylphenyl)ethanone (CID 63410277) is 1-(2-chloro-4-fluorophenyl)-2-(4-ethylphenyl)ethanone.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-2-(4-ethylphenyl)ethanone?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-2-(4-ethylphenyl)ethanone is CCc1ccc(CC(=O)c2ccc(F)cc2Cl)cc1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-2-(4-ethylphenyl)ethanone?
The InChIKey is SCSUXOWAYADNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO/c1-2-11-3-5-12(6-4-11)9-16(19)14-8-7-13(18)10-15(14)17/h3-8,10H,2,9H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-2-(4-ethylphenyl)ethanone?
1-(2-chloro-4-fluorophenyl)-2-(4-ethylphenyl)ethanone has a molecular weight of 276.74 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-2-(4-ethylphenyl)ethanone is sourced from PubChem (CID 63410277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).