(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone

C14H8Cl2F2O — CID 81045884

IUPAC(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
SMILESCc1cc(C(=O)c2ccc(Cl)cc2F)c(Cl)cc1F
InChIInChI=1S/C14H8Cl2F2O/c1-7-4-10(11(16)6-12(7)17)14(19)9-3-2-8(15)5-13(9)18/h2-6H,1H3
InChIKeyFLNAXBGXPHBSSU-UHFFFAOYSA-N
MW301.12 g/mol
LogP4.81
Rot. Bonds2

About (2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone

(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone (PubChem CID 81045884) has the molecular formula C14H8Cl2F2O and a molecular weight of 301.12 g/mol. Its IUPAC name is (2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
PubChem CID81045884
Molecular FormulaC14H8Cl2F2O
Molecular Weight301.12 g/mol
Exact Mass299.99
IUPAC Name(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
SMILESCc1cc(C(=O)c2ccc(Cl)cc2F)c(Cl)cc1F
InChIInChI=1S/C14H8Cl2F2O/c1-7-4-10(11(16)6-12(7)17)14(19)9-3-2-8(15)5-13(9)18/h2-6H,1H3
InChIKeyFLNAXBGXPHBSSU-UHFFFAOYSA-N
XLogP4.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.12
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81045885
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-methoxyphenyl)methanone
CID 81045720
(4-chloro-2-fluorophenyl)-(2,4-dimethylphenyl)methanone
CID 43160123
(4-chloro-2-fluorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 55181742
(5-amino-2,4-difluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81050999
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone
CID 81045029
(3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 114019742
(2-bromo-5-methylphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81110078
(5-chloro-2-iodophenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 114030596
(3-amino-2-chlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 112580817
(2,4-difluoro-5-methylphenyl)-(2,4-difluorophenyl)methanone
CID 79731832
(2,4-dichlorophenyl)-(2,4-difluorophenyl)methanone
CID 43159987

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone?
The IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone (CID 81045884) is (2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for (2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone?
The canonical SMILES for (2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone is Cc1cc(C(=O)c2ccc(Cl)cc2F)c(Cl)cc1F.
What is the InChIKey of (2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone?
The InChIKey is FLNAXBGXPHBSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F2O/c1-7-4-10(11(16)6-12(7)17)14(19)9-3-2-8(15)5-13(9)18/h2-6H,1H3.
What are the key properties of (2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone?
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone has a molecular weight of 301.12 g/mol, XLogP of 4.81, 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)-(4-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 81045884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).