4-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyridine

C11H14F3N — CID 170214219

IUPAC4-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyridine
SMILESCC(C)C(C)c1ccncc1C(F)(F)F
InChIInChI=1S/C11H14F3N/c1-7(2)8(3)9-4-5-15-6-10(9)11(12,13)14/h4-8H,1-3H3
InChIKeyFKOHDGOISNYLCJ-UHFFFAOYSA-N
MW217.23 g/mol
LogP3.86
Rot. Bonds2

About 4-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyridine

4-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyridine (PubChem CID 170214219) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyridine
PubChem CID170214219
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name4-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyridine
SMILESCC(C)C(C)c1ccncc1C(F)(F)F
InChIInChI=1S/C11H14F3N/c1-7(2)8(3)9-4-5-15-6-10(9)11(12,13)14/h4-8H,1-3H3
InChIKeyFKOHDGOISNYLCJ-UHFFFAOYSA-N
XLogP3.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-tert-butyl-4-propan-2-ylpyridine
CID 59734411
cyclopropyl-[3-(trifluoromethyl)-4-pyridinyl]methanamine;dihydrochloride
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4-(trifluoromethyl)pyridin-3-ol
CID 25210497
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
4-(bromomethyl)-3-(trifluoromethyl)pyridine
CID 118704049
N,3,4,4-tetramethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-amine
CID 102710096
4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyridine
CID 70841155
2,2,2-trifluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102709994
2,2-difluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 103517276
N-[(2R)-2-hydroxy-3-methylbutyl]-3-(trifluoromethyl)pyridine-4-carboxamide
CID 99779539
N-methyl-4-(trifluoromethyl)pyridin-3-amine
CID 67229905
3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol
CID 102707904

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 4-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyridine (CID 170214219) is 4-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyridine is CC(C)C(C)c1ccncc1C(F)(F)F.
What is the InChIKey of 4-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyridine?
The InChIKey is FKOHDGOISNYLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-7(2)8(3)9-4-5-15-6-10(9)11(12,13)14/h4-8H,1-3H3.
What are the key properties of 4-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyridine?
4-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyridine has a molecular weight of 217.23 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 170214219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).