(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone

C14H8Cl3FO — CID 81045885

IUPAC(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone
SMILESCc1cc(C(=O)c2cc(Cl)ccc2Cl)c(Cl)cc1F
InChIInChI=1S/C14H8Cl3FO/c1-7-4-9(12(17)6-13(7)18)14(19)10-5-8(15)2-3-11(10)16/h2-6H,1H3
InChIKeyWHSBNUYMKMHXMG-UHFFFAOYSA-N
MW317.57 g/mol
LogP5.33
Rot. Bonds2

About (2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone

(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone (PubChem CID 81045885) has the molecular formula C14H8Cl3FO and a molecular weight of 317.57 g/mol. Its IUPAC name is (2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone
PubChem CID81045885
Molecular FormulaC14H8Cl3FO
Molecular Weight317.57 g/mol
Exact Mass315.96
IUPAC Name(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone
SMILESCc1cc(C(=O)c2cc(Cl)ccc2Cl)c(Cl)cc1F
InChIInChI=1S/C14H8Cl3FO/c1-7-4-9(12(17)6-13(7)18)14(19)10-5-8(15)2-3-11(10)16/h2-6H,1H3
InChIKeyWHSBNUYMKMHXMG-UHFFFAOYSA-N
XLogP5.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.57
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 81045884
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-methoxyphenyl)methanone
CID 81045720
(2-chloro-4,5-difluorophenyl)-(5-chloro-2-fluorophenyl)methanone
CID 107475826
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone
CID 81045029
(2-bromo-5-methylphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81110078
(3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 114019742
(5-chloro-2-iodophenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 114030596
(5-amino-2,4-difluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81050999
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
(3-amino-2-chlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 112580817
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-dimethoxyphenyl)methanone
CID 81047587
(2-chloro-4-fluoro-5-methylphenyl)-thiophen-3-ylmethanone
CID 81044879

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone?
The IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone (CID 81045885) is (2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone.
What is the SMILES notation for (2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone?
The canonical SMILES for (2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone is Cc1cc(C(=O)c2cc(Cl)ccc2Cl)c(Cl)cc1F.
What is the InChIKey of (2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone?
The InChIKey is WHSBNUYMKMHXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3FO/c1-7-4-9(12(17)6-13(7)18)14(19)10-5-8(15)2-3-11(10)16/h2-6H,1H3.
What are the key properties of (2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone?
(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone has a molecular weight of 317.57 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone is sourced from PubChem (CID 81045885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).