2-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine

C10H12F3N — CID 166470570

IUPAC2-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine
SMILESCC(C)C(c1ccccn1)C(F)(F)F
InChIInChI=1S/C10H12F3N/c1-7(2)9(10(11,12)13)8-5-3-4-6-14-8/h3-7,9H,1-2H3
InChIKeyQVOIFMUKIZVWRX-UHFFFAOYSA-N
MW203.21 g/mol
LogP3.38
Rot. Bonds2

About 2-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine

2-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine (PubChem CID 166470570) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 2-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine.

Molecular Properties

Compound Name2-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine
PubChem CID166470570
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name2-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine
SMILESCC(C)C(c1ccccn1)C(F)(F)F
InChIInChI=1S/C10H12F3N/c1-7(2)9(10(11,12)13)8-5-3-4-6-14-8/h3-7,9H,1-2H3
InChIKeyQVOIFMUKIZVWRX-UHFFFAOYSA-N
XLogP3.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
ethane;2-methylpropane;2-propan-2-ylpyridine
CID 160963174
2,2,2-trifluoro-1-pyridin-2-ylethanamine
CID 25219911
(2,2,2-trifluoro-1-pyridin-2-ylethyl)azanide
CID 154488282
2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 162046659
(1S)-2-methyl-1-pyridin-2-ylpropan-1-ol
CID 51670363
N-(1-pyridin-2-ylethyl)-4-(trifluoromethyl)aniline
CID 43192853
2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine
CID 146530371
2-(1-chloro-2,2-dimethylpropyl)pyridine
CID 146396915
(1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 86767543
(2R,3R)-1,1,1-trifluoro-2-phenyl-3-pyridin-2-ylbutan-2-ol
CID 125488796
1-pyridin-2-yl-N,N-bis(1-pyridin-2-ylethyl)ethanamine
CID 15806675

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine?
The IUPAC name of 2-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine (CID 166470570) is 2-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine.
What is the SMILES notation for 2-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine?
The canonical SMILES for 2-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine is CC(C)C(c1ccccn1)C(F)(F)F.
What is the InChIKey of 2-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine?
The InChIKey is QVOIFMUKIZVWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-7(2)9(10(11,12)13)8-5-3-4-6-14-8/h3-7,9H,1-2H3.
What are the key properties of 2-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine?
2-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine has a molecular weight of 203.21 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine is sourced from PubChem (CID 166470570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).