(2,6-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone

C13H6F5NO — CID 102707666

IUPAC(2,6-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1cnccc1C(F)(F)F)c1c(F)cccc1F
InChIInChI=1S/C13H6F5NO/c14-9-2-1-3-10(15)11(9)12(20)7-6-19-5-4-8(7)13(16,17)18/h1-6H
InChIKeyBCLLJWJFFWRCLJ-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.61
Rot. Bonds2

About (2,6-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone

(2,6-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 102707666) has the molecular formula C13H6F5NO and a molecular weight of 287.19 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID102707666
Molecular FormulaC13H6F5NO
Molecular Weight287.19 g/mol
Exact Mass287.04
IUPAC Name(2,6-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1cnccc1C(F)(F)F)c1c(F)cccc1F
InChIInChI=1S/C13H6F5NO/c14-9-2-1-3-10(15)11(9)12(20)7-6-19-5-4-8(7)13(16,17)18/h1-6H
InChIKeyBCLLJWJFFWRCLJ-UHFFFAOYSA-N
XLogP3.61
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
pyridin-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707532
2-(2-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707559
(6-methyl-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707596
(4-amino-3-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709294
(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707594
(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707550
(3-methoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707522
2-(3-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707552
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767
N-[dimethyl(oxo)-λ6-sulfanylidene]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 59882075
2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102709315

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone (CID 102707666) is (2,6-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone is O=C(c1cnccc1C(F)(F)F)c1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is BCLLJWJFFWRCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F5NO/c14-9-2-1-3-10(15)11(9)12(20)7-6-19-5-4-8(7)13(16,17)18/h1-6H.
What are the key properties of (2,6-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
(2,6-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 287.19 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 102707666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).