2-ethyl-2-(trifluoromethyl)-1H-pyridine

C8H10F3N — CID 141379825

IUPAC2-ethyl-2-(trifluoromethyl)-1H-pyridine
SMILESCCC1(C(F)(F)F)C=CC=CN1
InChIInChI=1S/C8H10F3N/c1-2-7(8(9,10)11)5-3-4-6-12-7/h3-6,12H,2H2,1H3
InChIKeyCLNGYGQPYBRFRJ-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.37
Rot. Bonds1

About 2-ethyl-2-(trifluoromethyl)-1H-pyridine

2-ethyl-2-(trifluoromethyl)-1H-pyridine (PubChem CID 141379825) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 2-ethyl-2-(trifluoromethyl)-1H-pyridine.

Molecular Properties

Compound Name2-ethyl-2-(trifluoromethyl)-1H-pyridine
PubChem CID141379825
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name2-ethyl-2-(trifluoromethyl)-1H-pyridine
SMILESCCC1(C(F)(F)F)C=CC=CN1
InChIInChI=1S/C8H10F3N/c1-2-7(8(9,10)11)5-3-4-6-12-7/h3-6,12H,2H2,1H3
InChIKeyCLNGYGQPYBRFRJ-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyl-2-vinylpyridine
CID 20131521
2-fluoro-2,3-dimethyl-1H-pyridine
CID 22615259
5-tert-butyl-2-methylidene-3-(trifluoromethyl)-1H-pyridine
CID 89639552
2-bromo-2-(2-fluoropropan-2-yl)-1H-pyridine
CID 126483986
6-Propan-2-yl-2-(trifluoromethyl)-1,2-dihydropyridine
CID 126671560
2-Methyl-4-(trifluoromethyl)-1,2-dihydropyridine
CID 129054060
5-(difluoromethyl)-N-ethenyl-4-ethylcyclohexa-1,5-dien-1-amine
CID 130321083
4-Methyl-2-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-dihydropyridine
CID 132263779
(2E,6E)-5,9-difluoro-4,5,7a,11a-tetrahydro-1H-1-benzazonine
CID 135193069
2,2-diethyl-5-fluoro-1H-pyridine
CID 138478316
2-Methyl-3-(trifluoromethyl)-1,2-dihydropyridine
CID 141795069
4-fluoro-1-methyl-N-propylcyclohexa-2,4-dien-1-amine
CID 143108220

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(trifluoromethyl)-1H-pyridine?
The IUPAC name of 2-ethyl-2-(trifluoromethyl)-1H-pyridine (CID 141379825) is 2-ethyl-2-(trifluoromethyl)-1H-pyridine.
What is the SMILES notation for 2-ethyl-2-(trifluoromethyl)-1H-pyridine?
The canonical SMILES for 2-ethyl-2-(trifluoromethyl)-1H-pyridine is CCC1(C(F)(F)F)C=CC=CN1.
What is the InChIKey of 2-ethyl-2-(trifluoromethyl)-1H-pyridine?
The InChIKey is CLNGYGQPYBRFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c1-2-7(8(9,10)11)5-3-4-6-12-7/h3-6,12H,2H2,1H3.
What are the key properties of 2-ethyl-2-(trifluoromethyl)-1H-pyridine?
2-ethyl-2-(trifluoromethyl)-1H-pyridine has a molecular weight of 177.17 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(trifluoromethyl)-1H-pyridine is sourced from PubChem (CID 141379825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).