5-(2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)pyridine

C12H16F3N — CID 146230452

IUPAC5-(2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)pyridine
SMILESCC(C)C(C)(C)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H16F3N/c1-8(2)11(3,4)9-5-6-10(16-7-9)12(13,14)15/h5-8H,1-4H3
InChIKeyQVYQVMQREPFRLI-UHFFFAOYSA-N
MW231.26 g/mol
LogP4.03
Rot. Bonds2

About 5-(2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)pyridine

5-(2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)pyridine (PubChem CID 146230452) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is 5-(2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-(2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)pyridine
PubChem CID146230452
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name5-(2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)pyridine
SMILESCC(C)C(C)(C)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H16F3N/c1-8(2)11(3,4)9-5-6-10(16-7-9)12(13,14)15/h5-8H,1-4H3
InChIKeyQVYQVMQREPFRLI-UHFFFAOYSA-N
XLogP4.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(1-iodoethyl)-2-(trifluoromethyl)pyridine
CID 142294771
[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]azanium
CID 164715814
2,2-difluoro-2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 151780532
2-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]butan-2-ol
CID 82811107
2-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanedial
CID 166650530
5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)pyridine
CID 144704292
ethane;5-methyl-2-(trifluoromethyl)pyridine
CID 143930819
5-[(2S)-butan-2-yl]-2-(trifluoromethyl)pyridine
CID 66695263
5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyrimidin-2-amine
CID 66774748
2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one
CID 59943629
5-(2-bromopropyl)-2-(trifluoromethyl)pyridine
CID 68969258
1-tert-butyl-4-(2,3-dimethylbutan-2-yl)benzene;ethane
CID 145287481

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-(2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)pyridine (CID 146230452) is 5-(2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-(2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-(2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)pyridine is CC(C)C(C)(C)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 5-(2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)pyridine?
The InChIKey is QVYQVMQREPFRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c1-8(2)11(3,4)9-5-6-10(16-7-9)12(13,14)15/h5-8H,1-4H3.
What are the key properties of 5-(2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)pyridine?
5-(2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)pyridine has a molecular weight of 231.26 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 146230452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).