(2,3-dichlorophenyl)-[3-(trifluoromethyl)phenyl]methanone

C14H7Cl2F3O — CID 63411424

IUPAC(2,3-dichlorophenyl)-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H7Cl2F3O/c15-11-6-2-5-10(12(11)16)13(20)8-3-1-4-9(7-8)14(17,18)19/h1-7H
InChIKeyMROSHQVZUBHQMA-UHFFFAOYSA-N
MW319.11 g/mol
LogP5.24
Rot. Bonds2

About (2,3-dichlorophenyl)-[3-(trifluoromethyl)phenyl]methanone

(2,3-dichlorophenyl)-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 63411424) has the molecular formula C14H7Cl2F3O and a molecular weight of 319.11 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[3-(trifluoromethyl)phenyl]methanone
PubChem CID63411424
Molecular FormulaC14H7Cl2F3O
Molecular Weight319.11 g/mol
Exact Mass317.98
IUPAC Name(2,3-dichlorophenyl)-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H7Cl2F3O/c15-11-6-2-5-10(12(11)16)13(20)8-3-1-4-9(7-8)14(17,18)19/h1-7H
InChIKeyMROSHQVZUBHQMA-UHFFFAOYSA-N
XLogP5.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.11
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,3-dichlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 114970427
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
(3-aminophenyl)-(2,3-dichlorophenyl)methanone
CID 116548558
(2-fluoro-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 114970263
2-chloro-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 55659179
(2,4-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43337913
(2,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43337272
(3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone
CID 79786692
3-[3-(trifluoromethyl)benzoyl]pyridine-2-carboxylic acid
CID 19700744
(3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 55026756
(5-fluoro-2-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 62790265
(4-bromothiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 79595938

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[3-(trifluoromethyl)phenyl]methanone (CID 63411424) is (2,3-dichlorophenyl)-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)c1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl)-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is MROSHQVZUBHQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3O/c15-11-6-2-5-10(12(11)16)13(20)8-3-1-4-9(7-8)14(17,18)19/h1-7H.
What are the key properties of (2,3-dichlorophenyl)-[3-(trifluoromethyl)phenyl]methanone?
(2,3-dichlorophenyl)-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 319.11 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 63411424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).