5-propan-2-yl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyridine

C9H14F3N — CID 146356803

IUPAC5-propan-2-yl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyridine
SMILESCC(C)C1=CNC(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3N/c1-6(2)7-3-4-8(13-5-7)9(10,11)12/h5-6,8,13H,3-4H2,1-2H3
InChIKeyMXFMCSNPNFCXGY-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.84
Rot. Bonds1

About 5-propan-2-yl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyridine

5-propan-2-yl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyridine (PubChem CID 146356803) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is 5-propan-2-yl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name5-propan-2-yl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyridine
PubChem CID146356803
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name5-propan-2-yl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyridine
SMILESCC(C)C1=CNC(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3N/c1-6(2)7-3-4-8(13-5-7)9(10,11)12/h5-6,8,13H,3-4H2,1-2H3
InChIKeyMXFMCSNPNFCXGY-UHFFFAOYSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-difluoro-N,7-dimethyl-6-methylideneoctan-1-amine
CID 134570911
2-Fluoro-3-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine
CID 135212630
3-Fluoro-2-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine
CID 146299779
1,1,1-trifluoro-N,5-dimethyl-2-(trifluoromethyl)hex-5-en-3-amine
CID 103312104
1,1,1-trifluoro-N-methyl-5-methylidene-2-(trifluoromethyl)heptan-3-amine
CID 103312114
1,1,1-trifluoro-5-methylidene-N-propyl-2-(trifluoromethyl)heptan-3-amine
CID 103312115
1,1,1-trifluoro-6-methyl-N-propyl-2-(trifluoromethyl)hept-6-en-3-amine
CID 103312293
N-ethyl-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)hept-6-en-3-amine
CID 103312294
1-(4,4-difluorocyclohexyl)-N-ethyl-3-methylbut-3-en-1-amine
CID 105162988
3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105162995
N-ethyl-3-methyl-1-[4-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105163027
1-(4,4-difluorocyclohexyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105163075

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyridine?
The IUPAC name of 5-propan-2-yl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyridine (CID 146356803) is 5-propan-2-yl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 5-propan-2-yl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 5-propan-2-yl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyridine is CC(C)C1=CNC(C(F)(F)F)CC1.
What is the InChIKey of 5-propan-2-yl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyridine?
The InChIKey is MXFMCSNPNFCXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N/c1-6(2)7-3-4-8(13-5-7)9(10,11)12/h5-6,8,13H,3-4H2,1-2H3.
What are the key properties of 5-propan-2-yl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyridine?
5-propan-2-yl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyridine has a molecular weight of 193.21 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 146356803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).