(3,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone

C14H7Cl2F3O — CID 43344485

IUPAC(3,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H7Cl2F3O/c15-11-6-5-8(7-12(11)16)13(20)9-3-1-2-4-10(9)14(17,18)19/h1-7H
InChIKeyDXHHBLMQKFWELQ-UHFFFAOYSA-N
MW319.11 g/mol
LogP5.24
Rot. Bonds2

About (3,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone

(3,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 43344485) has the molecular formula C14H7Cl2F3O and a molecular weight of 319.11 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID43344485
Molecular FormulaC14H7Cl2F3O
Molecular Weight319.11 g/mol
Exact Mass317.98
IUPAC Name(3,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H7Cl2F3O/c15-11-6-5-8(7-12(11)16)13(20)9-3-1-2-4-10(9)14(17,18)19/h1-7H
InChIKeyDXHHBLMQKFWELQ-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

(3-amino-4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 116552312
(3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 62802145
[4-bromo-2-(trifluoromethyl)phenyl]-(3,4-dichlorophenyl)methanone
CID 63409381
(2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344618
2-(3,4-dichlorobenzoyl)benzoic acid
CID 793356
(3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 55120964
(3,5-dibromophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 107976795
(4-chloro-2,5-difluorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 114971329
(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone
CID 105098119
(4-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 163987169
(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707594
(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 114329543

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone (CID 43344485) is (3,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(Cl)c(Cl)c1)c1ccccc1C(F)(F)F.
What is the InChIKey of (3,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is DXHHBLMQKFWELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3O/c15-11-6-5-8(7-12(11)16)13(20)9-3-1-2-4-10(9)14(17,18)19/h1-7H.
What are the key properties of (3,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone?
(3,4-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 (3,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 43344485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).