(3,4-dichlorophenyl)-(2,4,5-trifluorophenyl)methanone

C13H5Cl2F3O — CID 113254913

IUPAC(3,4-dichlorophenyl)-(2,4,5-trifluorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)c1cc(F)c(F)cc1F
InChIInChI=1S/C13H5Cl2F3O/c14-8-2-1-6(3-9(8)15)13(19)7-4-11(17)12(18)5-10(7)16/h1-5H
InChIKeyHQOFGOFGBZKBRP-UHFFFAOYSA-N
MW305.08 g/mol
LogP4.64
Rot. Bonds2

About (3,4-dichlorophenyl)-(2,4,5-trifluorophenyl)methanone

(3,4-dichlorophenyl)-(2,4,5-trifluorophenyl)methanone (PubChem CID 113254913) has the molecular formula C13H5Cl2F3O and a molecular weight of 305.08 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(2,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(2,4,5-trifluorophenyl)methanone
PubChem CID113254913
Molecular FormulaC13H5Cl2F3O
Molecular Weight305.08 g/mol
Exact Mass303.97
IUPAC Name(3,4-dichlorophenyl)-(2,4,5-trifluorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)c1cc(F)c(F)cc1F
InChIInChI=1S/C13H5Cl2F3O/c14-8-2-1-6(3-9(8)15)13(19)7-4-11(17)12(18)5-10(7)16/h1-5H
InChIKeyHQOFGOFGBZKBRP-UHFFFAOYSA-N
XLogP4.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.08
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338246
(3,4-dichlorophenyl)-(2,6-difluorophenyl)methanone
CID 43167216
(4-amino-3-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanone
CID 107477758
(3,4-dichlorophenyl)-(3,5-difluorophenyl)methanone
CID 2758085
(2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone
CID 107475645
(4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone
CID 43338232
bis(3-chloro-4-fluorophenyl)methanone
CID 2740703
(4-chloro-3-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 115781836
2-(3,4-dichlorobenzoyl)benzoic acid
CID 793356
(2,4-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338229
(4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103693773
(4-amino-3-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 82773780

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(2,4,5-trifluorophenyl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(2,4,5-trifluorophenyl)methanone (CID 113254913) is (3,4-dichlorophenyl)-(2,4,5-trifluorophenyl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(2,4,5-trifluorophenyl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(2,4,5-trifluorophenyl)methanone is O=C(c1ccc(Cl)c(Cl)c1)c1cc(F)c(F)cc1F.
What is the InChIKey of (3,4-dichlorophenyl)-(2,4,5-trifluorophenyl)methanone?
The InChIKey is HQOFGOFGBZKBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl2F3O/c14-8-2-1-6(3-9(8)15)13(19)7-4-11(17)12(18)5-10(7)16/h1-5H.
What are the key properties of (3,4-dichlorophenyl)-(2,4,5-trifluorophenyl)methanone?
(3,4-dichlorophenyl)-(2,4,5-trifluorophenyl)methanone has a molecular weight of 305.08 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(2,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 113254913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).