4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyridine

C8H10F3N — CID 150628397

IUPAC4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyridine
SMILESCC1=CCN(CC(F)(F)F)C=C1
InChIInChI=1S/C8H10F3N/c1-7-2-4-12(5-3-7)6-8(9,10)11/h2-4H,5-6H2,1H3
InChIKeyIXJBENGHDBJURG-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.32
Rot. Bonds1

About 4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyridine

4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyridine (PubChem CID 150628397) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyridine.

Molecular Properties

Compound Name4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyridine
PubChem CID150628397
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyridine
SMILESCC1=CCN(CC(F)(F)F)C=C1
InChIInChI=1S/C8H10F3N/c1-7-2-4-12(5-3-7)6-8(9,10)11/h2-4H,5-6H2,1H3
InChIKeyIXJBENGHDBJURG-UHFFFAOYSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-Methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine
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1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridine
CID 90423426
1-(2,2,2-trifluoroethyl)-2H-pyridine
CID 90887733
2-Chloro-1-ethyl-2-methyl-5-(trifluoromethyl)pyridine
CID 118478765
1-Methyl-4-[1-(trifluoromethyl)-4-pyridinylidene]pyridine
CID 118952259
1-methyl-4-(trifluoromethyl)-2H-pyridine
CID 121391423
N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine
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1-Ethyl-2-methylidene-5-(trifluoromethyl)pyridine
CID 123548735
1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123633847

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyridine?
The IUPAC name of 4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyridine (CID 150628397) is 4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyridine.
What is the SMILES notation for 4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyridine?
The canonical SMILES for 4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyridine is CC1=CCN(CC(F)(F)F)C=C1.
What is the InChIKey of 4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyridine?
The InChIKey is IXJBENGHDBJURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c1-7-2-4-12(5-3-7)6-8(9,10)11/h2-4H,5-6H2,1H3.
What are the key properties of 4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyridine?
4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyridine has a molecular weight of 177.17 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyridine is sourced from PubChem (CID 150628397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).