2,2,6,6-tetramethyl-1-(1,2,2-trifluoroethenyl)piperidine

C11H18F3N — CID 177223408

IUPAC2,2,6,6-tetramethyl-1-(1,2,2-trifluoroethenyl)piperidine
SMILESCC1(C)CCCC(C)(C)N1C(F)=C(F)F
InChIInChI=1S/C11H18F3N/c1-10(2)6-5-7-11(3,4)15(10)9(14)8(12)13/h5-7H2,1-4H3
InChIKeyBDSXBZPHLSIXAZ-UHFFFAOYSA-N
MW221.27 g/mol
LogP4.06
Rot. Bonds1

About 2,2,6,6-tetramethyl-1-(1,2,2-trifluoroethenyl)piperidine

2,2,6,6-tetramethyl-1-(1,2,2-trifluoroethenyl)piperidine (PubChem CID 177223408) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-(1,2,2-trifluoroethenyl)piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-(1,2,2-trifluoroethenyl)piperidine
PubChem CID177223408
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name2,2,6,6-tetramethyl-1-(1,2,2-trifluoroethenyl)piperidine
SMILESCC1(C)CCCC(C)(C)N1C(F)=C(F)F
InChIInChI=1S/C11H18F3N/c1-10(2)6-5-7-11(3,4)15(10)9(14)8(12)13/h5-7H2,1-4H3
InChIKeyBDSXBZPHLSIXAZ-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2,2,6,6-Tetramethyl-1-(trifluoromethyl)piperidine
CID 15105668
2,2,6,6-Tetramethyl-1-(trifluoromethylsulfanyl)piperidine
CID 101895379
4-Fluoro-1,2,2,6,6-pentamethylpiperidine
CID 117813089
(2S,6R)-1-fluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine
CID 100952954
2,2,6,6-Tetramethyl-1-(2,2,2-trifluoroethyl)piperidine
CID 102438016
Fluoromethane;1,2,2,6,6-pentamethylpiperidine
CID 142029041

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-(1,2,2-trifluoroethenyl)piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-1-(1,2,2-trifluoroethenyl)piperidine (CID 177223408) is 2,2,6,6-tetramethyl-1-(1,2,2-trifluoroethenyl)piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-(1,2,2-trifluoroethenyl)piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-(1,2,2-trifluoroethenyl)piperidine is CC1(C)CCCC(C)(C)N1C(F)=C(F)F.
What is the InChIKey of 2,2,6,6-tetramethyl-1-(1,2,2-trifluoroethenyl)piperidine?
The InChIKey is BDSXBZPHLSIXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N/c1-10(2)6-5-7-11(3,4)15(10)9(14)8(12)13/h5-7H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-1-(1,2,2-trifluoroethenyl)piperidine?
2,2,6,6-tetramethyl-1-(1,2,2-trifluoroethenyl)piperidine has a molecular weight of 221.27 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-(1,2,2-trifluoroethenyl)piperidine is sourced from PubChem (CID 177223408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).