(2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone

C14H6ClF5O — CID 107288117

IUPAC(2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)c(F)c1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H6ClF5O/c15-11-6-8(16)2-3-9(11)13(21)7-1-4-10(12(17)5-7)14(18,19)20/h1-6H
InChIKeyFLRLWGHZOOZJHE-UHFFFAOYSA-N
MW320.64 g/mol
LogP4.87
Rot. Bonds2

About (2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone

(2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone (PubChem CID 107288117) has the molecular formula C14H6ClF5O and a molecular weight of 320.64 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
PubChem CID107288117
Molecular FormulaC14H6ClF5O
Molecular Weight320.64 g/mol
Exact Mass320.00
IUPAC Name(2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)c(F)c1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H6ClF5O/c15-11-6-8(16)2-3-9(11)13(21)7-1-4-10(12(17)5-7)14(18,19)20/h1-6H
InChIKeyFLRLWGHZOOZJHE-UHFFFAOYSA-N
XLogP4.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.64
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-dichlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291213
bis[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 140930579
(2,4-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338229
(2-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291200
(4-bromo-2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288344
(3-bromo-4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288265
3-fluoro-4-(trifluoromethyl)benzoyl chloride
CID 2734709
(2,4-dichlorophenyl)-(3-fluorophenyl)methanone
CID 61271846
(2-chloro-4-fluorophenyl)-(4-chloro-2-methylphenyl)methanone
CID 146005847
(2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187591
(2-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288234
(2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291262

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone (CID 107288117) is (2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)c(F)c1)c1ccc(F)cc1Cl.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
The InChIKey is FLRLWGHZOOZJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6ClF5O/c15-11-6-8(16)2-3-9(11)13(21)7-1-4-10(12(17)5-7)14(18,19)20/h1-6H.
What are the key properties of (2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
(2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone has a molecular weight of 320.64 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 107288117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).