(3-methylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone

C12H8F3NO2 — CID 102707726

IUPAC(3-methylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1ccoc1C(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C12H8F3NO2/c1-7-3-5-18-11(7)10(17)8-6-16-4-2-9(8)12(13,14)15/h2-6H,1H3
InChIKeyMEUZEGNTITZYBA-UHFFFAOYSA-N
MW255.19 g/mol
LogP3.23
Rot. Bonds2

About (3-methylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone

(3-methylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 102707726) has the molecular formula C12H8F3NO2 and a molecular weight of 255.19 g/mol. Its IUPAC name is (3-methylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-methylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID102707726
Molecular FormulaC12H8F3NO2
Molecular Weight255.19 g/mol
Exact Mass255.05
IUPAC Name(3-methylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1ccoc1C(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C12H8F3NO2/c1-7-3-5-18-11(7)10(17)8-6-16-4-2-9(8)12(13,14)15/h2-6H,1H3
InChIKeyMEUZEGNTITZYBA-UHFFFAOYSA-N
XLogP3.23
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707550
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767
4-(trifluoromethyl)-N-trimethylsilylpyridine-3-carboxamide
CID 170555219
(6-methyl-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707596
pyridin-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707532
(2,6-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707666
(5-bromofuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709568
N-[dimethyl(oxo)-λ6-sulfanylidene]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 59882075
(3-methylfuran-2-yl)-[2-(trifluoromethoxy)phenyl]methanone
CID 104799403
2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102709315
(3-methoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707522

Frequently Asked Questions

What is the IUPAC name of (3-methylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (3-methylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone (CID 102707726) is (3-methylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (3-methylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (3-methylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone is Cc1ccoc1C(=O)c1cnccc1C(F)(F)F.
What is the InChIKey of (3-methylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is MEUZEGNTITZYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO2/c1-7-3-5-18-11(7)10(17)8-6-16-4-2-9(8)12(13,14)15/h2-6H,1H3.
What are the key properties of (3-methylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
(3-methylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 255.19 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 102707726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).