3-tert-butyl-6-(trifluoromethyl)-2,3,4,5-tetrahydropyridine

C10H16F3N — CID 167284174

IUPAC3-tert-butyl-6-(trifluoromethyl)-2,3,4,5-tetrahydropyridine
SMILESCC(C)(C)C1CCC(C(F)(F)F)=NC1
InChIInChI=1S/C10H16F3N/c1-9(2,3)7-4-5-8(14-6-7)10(11,12)13/h7H,4-6H2,1-3H3
InChIKeyWCDIDFJFNJDSHN-UHFFFAOYSA-N
MW207.24 g/mol
LogP3.45
Rot. Bonds

About 3-tert-butyl-6-(trifluoromethyl)-2,3,4,5-tetrahydropyridine

3-tert-butyl-6-(trifluoromethyl)-2,3,4,5-tetrahydropyridine (PubChem CID 167284174) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is 3-tert-butyl-6-(trifluoromethyl)-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name3-tert-butyl-6-(trifluoromethyl)-2,3,4,5-tetrahydropyridine
PubChem CID167284174
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name3-tert-butyl-6-(trifluoromethyl)-2,3,4,5-tetrahydropyridine
SMILESCC(C)(C)C1CCC(C(F)(F)F)=NC1
InChIInChI=1S/C10H16F3N/c1-9(2,3)7-4-5-8(14-6-7)10(11,12)13/h7H,4-6H2,1-3H3
InChIKeyWCDIDFJFNJDSHN-UHFFFAOYSA-N
XLogP3.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(Difluoromethyl)-3,3,5-trimethyl-2,4-dihydropyrrole
CID 68070899
N-(2,2-difluoroethyl)-5-(2,2,4-trimethylcyclobutyl)pentan-2-imine
CID 123703567
2,2,3-trimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-pyridine
CID 138509501
(2S)-2-(4,4-difluorocyclohexyl)-5-methyl-3,4-dihydro-2H-pyrrole
CID 146633905
(2S)-2-(4,4-difluorocyclohexyl)-5-ethyl-3,4-dihydro-2H-pyrrole
CID 146634226
6-tert-butyl-3,3-difluoro-4,5-dihydro-2H-pyridine
CID 160165055
6-Tert-butyl-3-fluoro-2,3,4,5-tetrahydropyridine
CID 161144528
2-(4,4-difluorocyclohexyl)-5-methyl-3,4-dihydro-2H-pyrrole
CID 166769736
2-(4,4-difluorocyclohexyl)-5-ethyl-3,4-dihydro-2H-pyrrole
CID 166769747
(3S)-3-methyl-6-[1-(trifluoromethyl)cyclopropyl]-2,3,4,5-tetrahydropyridine
CID 169113376
3-Methyl-6-[1-(trifluoromethyl)cyclopropyl]-2,3,4,5-tetrahydropyridine
CID 169750626
3,5-Difluoro-6-(3-methylbutan-2-yl)-2,3,4,5-tetrahydropyridine
CID 172345489

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-(trifluoromethyl)-2,3,4,5-tetrahydropyridine?
The IUPAC name of 3-tert-butyl-6-(trifluoromethyl)-2,3,4,5-tetrahydropyridine (CID 167284174) is 3-tert-butyl-6-(trifluoromethyl)-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 3-tert-butyl-6-(trifluoromethyl)-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 3-tert-butyl-6-(trifluoromethyl)-2,3,4,5-tetrahydropyridine is CC(C)(C)C1CCC(C(F)(F)F)=NC1.
What is the InChIKey of 3-tert-butyl-6-(trifluoromethyl)-2,3,4,5-tetrahydropyridine?
The InChIKey is WCDIDFJFNJDSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N/c1-9(2,3)7-4-5-8(14-6-7)10(11,12)13/h7H,4-6H2,1-3H3.
What are the key properties of 3-tert-butyl-6-(trifluoromethyl)-2,3,4,5-tetrahydropyridine?
3-tert-butyl-6-(trifluoromethyl)-2,3,4,5-tetrahydropyridine has a molecular weight of 207.24 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-(trifluoromethyl)-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 167284174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).