2-propan-2-yl-3-(trifluoromethyl)pyridine

C9H10F3N — CID 59735101

IUPAC2-propan-2-yl-3-(trifluoromethyl)pyridine
SMILESCC(C)c1ncccc1C(F)(F)F
InChIInChI=1S/C9H10F3N/c1-6(2)8-7(9(10,11)12)4-3-5-13-8/h3-6H,1-2H3
InChIKeyVKZJVABMTGKFDR-UHFFFAOYSA-N
MW189.18 g/mol
LogP3.22
Rot. Bonds1

About 2-propan-2-yl-3-(trifluoromethyl)pyridine

2-propan-2-yl-3-(trifluoromethyl)pyridine (PubChem CID 59735101) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is 2-propan-2-yl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-propan-2-yl-3-(trifluoromethyl)pyridine
PubChem CID59735101
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name2-propan-2-yl-3-(trifluoromethyl)pyridine
SMILESCC(C)c1ncccc1C(F)(F)F
InChIInChI=1S/C9H10F3N/c1-6(2)8-7(9(10,11)12)4-3-5-13-8/h3-6H,1-2H3
InChIKeyVKZJVABMTGKFDR-UHFFFAOYSA-N
XLogP3.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 131017310
3-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 69024684
N-methyl-2-[3-(trifluoromethyl)-2-pyridinyl]pentan-3-amine
CID 63559822
(2S)-2-amino-2-[3-(trifluoromethyl)-2-pyridinyl]ethanol
CID 131168070
2-methyl-3-(trifluoromethyl)pyridine
CID 14761443
cyclopropyl-[3-(trifluoromethyl)-2-pyridinyl]methanamine;hydrochloride
CID 131637723
3-(fluoromethyl)-2-propan-2-ylpyridine
CID 147644116
(3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propanamide
CID 140609961
2-(2-chloro-3-methylbutyl)-3-(trifluoromethyl)pyridine
CID 63202655
N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 104828787
3-methylsulfanyl-2-propan-2-ylpyridine
CID 18741288
4-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 118053651

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-propan-2-yl-3-(trifluoromethyl)pyridine (CID 59735101) is 2-propan-2-yl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-propan-2-yl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-propan-2-yl-3-(trifluoromethyl)pyridine is CC(C)c1ncccc1C(F)(F)F.
What is the InChIKey of 2-propan-2-yl-3-(trifluoromethyl)pyridine?
The InChIKey is VKZJVABMTGKFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c1-6(2)8-7(9(10,11)12)4-3-5-13-8/h3-6H,1-2H3.
What are the key properties of 2-propan-2-yl-3-(trifluoromethyl)pyridine?
2-propan-2-yl-3-(trifluoromethyl)pyridine has a molecular weight of 189.18 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 59735101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).