ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone

C10H12F3NO — CID 142909767

IUPACethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESCC.CC(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C8H6F3NO.C2H6/c1-5(13)6-4-12-3-2-7(6)8(9,10)11;1-2/h2-4H,1H3;1-2H3
InChIKeyVRPAWCPNGKOEBD-UHFFFAOYSA-N
MW219.21 g/mol
LogP3.33
Rot. Bonds1

About ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone

ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone (PubChem CID 142909767) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Nameethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
PubChem CID142909767
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Nameethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESCC.CC(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C8H6F3NO.C2H6/c1-5(13)6-4-12-3-2-7(6)8(9,10)11;1-2/h2-4H,1H3;1-2H3
InChIKeyVRPAWCPNGKOEBD-UHFFFAOYSA-N
XLogP3.33
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
4-(trifluoromethyl)-N-trimethylsilylpyridine-3-carboxamide
CID 170555219
N-[dimethyl(oxo)-λ6-sulfanylidene]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 59882075
2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102709315
1-[4-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 115009240
pyridin-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707532
N,N-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethenamine
CID 146641164
2-(4-methylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707574
(2,6-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707666
(3-methylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707726
(6-methyl-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707596
3-amino-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-one
CID 102709471

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone?
The IUPAC name of ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone (CID 142909767) is ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone.
What is the SMILES notation for ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone?
The canonical SMILES for ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone is CC.CC(=O)c1cnccc1C(F)(F)F.
What is the InChIKey of ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone?
The InChIKey is VRPAWCPNGKOEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO.C2H6/c1-5(13)6-4-12-3-2-7(6)8(9,10)11;1-2/h2-4H,1H3;1-2H3.
What are the key properties of ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone?
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone has a molecular weight of 219.21 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 142909767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).