1-(4-chloro-3-ethyl-5-fluorophenyl)-2,2,2-trifluoroethanone

C10H7ClF4O — CID 162566473

IUPAC1-(4-chloro-3-ethyl-5-fluorophenyl)-2,2,2-trifluoroethanone
SMILESCCc1cc(C(=O)C(F)(F)F)cc(F)c1Cl
InChIInChI=1S/C10H7ClF4O/c1-2-5-3-6(4-7(12)8(5)11)9(16)10(13,14)15/h3-4H,2H2,1H3
InChIKeyZEAZIHQWWDQGCX-UHFFFAOYSA-N
MW254.61 g/mol
LogP3.79
Rot. Bonds2

About 1-(4-chloro-3-ethyl-5-fluorophenyl)-2,2,2-trifluoroethanone

1-(4-chloro-3-ethyl-5-fluorophenyl)-2,2,2-trifluoroethanone (PubChem CID 162566473) has the molecular formula C10H7ClF4O and a molecular weight of 254.61 g/mol. Its IUPAC name is 1-(4-chloro-3-ethyl-5-fluorophenyl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(4-chloro-3-ethyl-5-fluorophenyl)-2,2,2-trifluoroethanone
PubChem CID162566473
Molecular FormulaC10H7ClF4O
Molecular Weight254.61 g/mol
Exact Mass254.01
IUPAC Name1-(4-chloro-3-ethyl-5-fluorophenyl)-2,2,2-trifluoroethanone
SMILESCCc1cc(C(=O)C(F)(F)F)cc(F)c1Cl
InChIInChI=1S/C10H7ClF4O/c1-2-5-3-6(4-7(12)8(5)11)9(16)10(13,14)15/h3-4H,2H2,1H3
InChIKeyZEAZIHQWWDQGCX-UHFFFAOYSA-N
XLogP3.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.61
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-5-fluoro-4-nitrophenyl)-2,2,2-trifluoroethanone
CID 167314125
2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanone
CID 2759044
1-(3,5-dimethylphenyl)-2,2,2-trifluoroethanone
CID 2758667
(2-chloro-6-fluorophenyl)-(3,4-diethylphenyl)methanone
CID 115481855
5-bromo-1,2,3-trichlorobenzene;1-(3,5-dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone;2,2,2-trifluoro-1-(3,4,5-trichlorophenyl)ethanone
CID 160613333
1-(3-ethoxy-4-fluorophenyl)-2,2,2-trifluoroethanone
CID 91656438
1-[3-chloro-4-fluoro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone
CID 130352597
3-chloro-4-ethyl-5-fluorobenzoic acid
CID 90066927
1-(3,5-difluorophenyl)-2,2-difluorobutan-1-one
CID 164660566
1-[1-[(2-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]-2,2,2-trifluoroethanone
CID 115983300
2,2,2-trifluoro-1-(3-fluoro-5-propoxyphenyl)ethanone
CID 91657905
1-[4-(dimethylamino)-3-fluorophenyl]-2,2,2-trifluoroethanone
CID 83388961

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-ethyl-5-fluorophenyl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(4-chloro-3-ethyl-5-fluorophenyl)-2,2,2-trifluoroethanone (CID 162566473) is 1-(4-chloro-3-ethyl-5-fluorophenyl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(4-chloro-3-ethyl-5-fluorophenyl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(4-chloro-3-ethyl-5-fluorophenyl)-2,2,2-trifluoroethanone is CCc1cc(C(=O)C(F)(F)F)cc(F)c1Cl.
What is the InChIKey of 1-(4-chloro-3-ethyl-5-fluorophenyl)-2,2,2-trifluoroethanone?
The InChIKey is ZEAZIHQWWDQGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF4O/c1-2-5-3-6(4-7(12)8(5)11)9(16)10(13,14)15/h3-4H,2H2,1H3.
What are the key properties of 1-(4-chloro-3-ethyl-5-fluorophenyl)-2,2,2-trifluoroethanone?
1-(4-chloro-3-ethyl-5-fluorophenyl)-2,2,2-trifluoroethanone has a molecular weight of 254.61 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-ethyl-5-fluorophenyl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 162566473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).