(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone

C13H6ClF4NO — CID 102707594

IUPAC(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(F)c(Cl)c1)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H6ClF4NO/c14-10-5-7(1-2-11(10)15)12(20)8-6-19-4-3-9(8)13(16,17)18/h1-6H
InChIKeyDNGVMEOCUDBFCQ-UHFFFAOYSA-N
MW303.64 g/mol
LogP4.12
Rot. Bonds2

About (3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone

(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 102707594) has the molecular formula C13H6ClF4NO and a molecular weight of 303.64 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID102707594
Molecular FormulaC13H6ClF4NO
Molecular Weight303.64 g/mol
Exact Mass303.01
IUPAC Name(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(F)c(Cl)c1)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H6ClF4NO/c14-10-5-7(1-2-11(10)15)12(20)8-6-19-4-3-9(8)13(16,17)18/h1-6H
InChIKeyDNGVMEOCUDBFCQ-UHFFFAOYSA-N
XLogP4.12
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.64
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phenyl-3-pyridinylmethanone
CID 21540
(4-Fluorophenyl)(pyridin-4-yl)methanone
CID 7023019
N-(4'-fluorobutyrophenone)-4-(4-chlorophenyl)pyridinium
CID 9975463
4-(4'-Chlorobenzoyl)pyridine
CID 98503
1-Phenyl-2-(4-pyridinyl)ethanone
CID 287104
1,3-Butanedione, 4,4,4-trifluoro-1-(3-pyridinyl)-
CID 68495
3-(2-Chlorophenyl)-1-(3-pyridinyl)-2-propen-1-one
CID 5721263
3-(4-Chlorophenyl)-1-(3-pyridinyl)-2-propen-1-one
CID 5997879
1-(4-Fluorophenyl)-3-(3-pyridinyl)-2-propen-1-one
CID 5852329
1-(6-Chloropyridin-3-yl)ethan-1-one
CID 2779698
(2E)-2-[(2-Chloropyridin-3-yl)methylidene]-2,3-dihydro-1Hinden-1-one (11e)
CID 122172778
N-(2-chlorobenzyl)-N-methyl-4-(trifluoromethyl)nicotinamide
CID 2726857

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone (CID 102707594) is (3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone is O=C(c1ccc(F)c(Cl)c1)c1cnccc1C(F)(F)F.
What is the InChIKey of (3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is DNGVMEOCUDBFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF4NO/c14-10-5-7(1-2-11(10)15)12(20)8-6-19-4-3-9(8)13(16,17)18/h1-6H.
What are the key properties of (3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 303.64 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 102707594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).