(2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone

C14H7Cl2F3O — CID 43344618

IUPAC(2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cc(Cl)ccc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H7Cl2F3O/c15-8-5-6-12(16)10(7-8)13(20)9-3-1-2-4-11(9)14(17,18)19/h1-7H
InChIKeyRDTDXAIQZNSKTI-UHFFFAOYSA-N
MW319.11 g/mol
LogP5.24
Rot. Bonds2

About (2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone

(2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 43344618) has the molecular formula C14H7Cl2F3O and a molecular weight of 319.11 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID43344618
Molecular FormulaC14H7Cl2F3O
Molecular Weight319.11 g/mol
Exact Mass317.98
IUPAC Name(2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cc(Cl)ccc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H7Cl2F3O/c15-8-5-6-12(16)10(7-8)13(20)9-3-1-2-4-11(9)14(17,18)19/h1-7H
InChIKeyRDTDXAIQZNSKTI-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

(4-chloro-2,5-difluorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 114971329
(3,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344485
(3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 62802145
2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 63411438
(3-amino-4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 116552312
(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone
CID 105098119
(2,5-dichlorophenyl)-naphthalen-1-ylmethanone
CID 43167267
(2-chlorophenyl)-(5-chloro-2-sulfanylphenyl)methanone
CID 139700416
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
(5-chlorothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 43338883
(2,4-dichlorobenzenecarboximidoyl) 2-(trifluoromethyl)benzoate
CID 21283750
(4-chlorophenyl) 2-(trifluoromethyl)benzoate
CID 532424

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone (CID 43344618) is (2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone is O=C(c1cc(Cl)ccc1Cl)c1ccccc1C(F)(F)F.
What is the InChIKey of (2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is RDTDXAIQZNSKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3O/c15-8-5-6-12(16)10(7-8)13(20)9-3-1-2-4-11(9)14(17,18)19/h1-7H.
What are the key properties of (2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone?
(2,5-dichlorophenyl)-[2-(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 (2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 43344618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).