2-chloro-1-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)ethanone

C14H8Cl2F2O — CID 82875870

IUPAC2-chloro-1-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)ethanone
SMILESO=C(c1ccc(F)c(Cl)c1)C(Cl)c1ccc(F)cc1
InChIInChI=1S/C14H8Cl2F2O/c15-11-7-9(3-6-12(11)18)14(19)13(16)8-1-4-10(17)5-2-8/h1-7,13H
InChIKeyFPPVVBCVRHPDNT-UHFFFAOYSA-N
MW301.12 g/mol
LogP4.78
Rot. Bonds3

About 2-chloro-1-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)ethanone

2-chloro-1-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)ethanone (PubChem CID 82875870) has the molecular formula C14H8Cl2F2O and a molecular weight of 301.12 g/mol. Its IUPAC name is 2-chloro-1-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)ethanone
PubChem CID82875870
Molecular FormulaC14H8Cl2F2O
Molecular Weight301.12 g/mol
Exact Mass299.99
IUPAC Name2-chloro-1-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)ethanone
SMILESO=C(c1ccc(F)c(Cl)c1)C(Cl)c1ccc(F)cc1
InChIInChI=1S/C14H8Cl2F2O/c15-11-7-9(3-6-12(11)18)14(19)13(16)8-1-4-10(17)5-2-8/h1-7,13H
InChIKeyFPPVVBCVRHPDNT-UHFFFAOYSA-N
XLogP4.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.12
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-(3-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanone
CID 81242733
1-(3-bromo-4-methylphenyl)-2-chloro-2-(4-fluorophenyl)ethanone
CID 81471585
bis(3-chloro-4-fluorophenyl)methanone
CID 2740703
1-(3-bromo-4-fluorophenyl)-2-chloro-2-phenylethanone
CID 107957005
2-chloro-1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 88827170
2-chloro-2-(4-chlorophenyl)-1-phenylethanone
CID 14247251
5-(2-chloro-2-phenylacetyl)-2-fluorobenzonitrile
CID 146010108
3-(3-chloro-4-fluorophenyl)-3-oxo-2-phenylpropanenitrile
CID 82875579
2-chloro-2-(4-fluorophenyl)-1-(3-nitrophenyl)ethanone
CID 81242654
2-chloro-1,2-bis(3-fluorophenyl)ethanone
CID 21408832
1-(3-chloro-4-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826787
(4-butan-2-ylphenyl)-(3-chloro-4-fluorophenyl)methanone
CID 82874721

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 2-chloro-1-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)ethanone (CID 82875870) is 2-chloro-1-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-chloro-1-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-chloro-1-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)ethanone is O=C(c1ccc(F)c(Cl)c1)C(Cl)c1ccc(F)cc1.
What is the InChIKey of 2-chloro-1-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)ethanone?
The InChIKey is FPPVVBCVRHPDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F2O/c15-11-7-9(3-6-12(11)18)14(19)13(16)8-1-4-10(17)5-2-8/h1-7,13H.
What are the key properties of 2-chloro-1-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)ethanone?
2-chloro-1-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)ethanone has a molecular weight of 301.12 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 82875870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).