(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone

C13H6Cl3FO — CID 81265376

IUPAC(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)c1cccc(Cl)c1F
InChIInChI=1S/C13H6Cl3FO/c14-7-4-5-8(11(16)6-7)13(18)9-2-1-3-10(15)12(9)17/h1-6H
InChIKeyNLFVUFKMMPOTTM-UHFFFAOYSA-N
MW303.55 g/mol
LogP5.02
Rot. Bonds2

About (3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone

(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone (PubChem CID 81265376) has the molecular formula C13H6Cl3FO and a molecular weight of 303.55 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone
PubChem CID81265376
Molecular FormulaC13H6Cl3FO
Molecular Weight303.55 g/mol
Exact Mass301.95
IUPAC Name(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)c1cccc(Cl)c1F
InChIInChI=1S/C13H6Cl3FO/c14-7-4-5-8(11(16)6-7)13(18)9-2-1-3-10(15)12(9)17/h1-6H
InChIKeyNLFVUFKMMPOTTM-UHFFFAOYSA-N
XLogP5.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.55
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chloro-2-fluorophenyl)-(2,4,6-trichlorophenyl)methanone
CID 105348938
(2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187591
(3-chloro-2-fluorophenyl)-(2,4-dimethylphenyl)methanone
CID 64712749
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
(2,4-dichlorophenyl)-(2,4-difluorophenyl)methanone
CID 43159987
(2,4-dichlorophenyl)-(3-fluorophenyl)methanone
CID 61271846
(2-chloro-4,5-difluorophenyl)-(2,3-difluorophenyl)methanone
CID 107475712
(2,4-dichlorophenyl)-(2-methylsulfanylphenyl)methanone
CID 79214960
(3-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanone
CID 106647466
(4-amino-2-chlorophenyl)-(3-bromo-2-fluorophenyl)methanone
CID 114020550
(2-bromo-3,4-difluorophenyl)-(2-chlorophenyl)methanone
CID 107537912
(3-chloro-2-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 64713968

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone?
The IUPAC name of (3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone (CID 81265376) is (3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone?
The canonical SMILES for (3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone is O=C(c1ccc(Cl)cc1Cl)c1cccc(Cl)c1F.
What is the InChIKey of (3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone?
The InChIKey is NLFVUFKMMPOTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3FO/c14-7-4-5-8(11(16)6-7)13(18)9-2-1-3-10(15)12(9)17/h1-6H.
What are the key properties of (3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone?
(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone has a molecular weight of 303.55 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 81265376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).