1-(2,2-difluoro-3-methylbut-3-enyl)-4-methyl-4-(trifluoromethyl)piperidine

C12H18F5N — CID 177030667

IUPAC1-(2,2-difluoro-3-methylbut-3-enyl)-4-methyl-4-(trifluoromethyl)piperidine
SMILESC=C(C)C(F)(F)CN1CCC(C)(C(F)(F)F)CC1
InChIInChI=1S/C12H18F5N/c1-9(2)11(13,14)8-18-6-4-10(3,5-7-18)12(15,16)17/h1,4-8H2,2-3H3
InChIKeyOQVQUVIXFQMTLB-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.86
Rot. Bonds3

About 1-(2,2-difluoro-3-methylbut-3-enyl)-4-methyl-4-(trifluoromethyl)piperidine

1-(2,2-difluoro-3-methylbut-3-enyl)-4-methyl-4-(trifluoromethyl)piperidine (PubChem CID 177030667) has the molecular formula C12H18F5N and a molecular weight of 271.27 g/mol. Its IUPAC name is 1-(2,2-difluoro-3-methylbut-3-enyl)-4-methyl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(2,2-difluoro-3-methylbut-3-enyl)-4-methyl-4-(trifluoromethyl)piperidine
PubChem CID177030667
Molecular FormulaC12H18F5N
Molecular Weight271.27 g/mol
Exact Mass271.14
IUPAC Name1-(2,2-difluoro-3-methylbut-3-enyl)-4-methyl-4-(trifluoromethyl)piperidine
SMILESC=C(C)C(F)(F)CN1CCC(C)(C(F)(F)F)CC1
InChIInChI=1S/C12H18F5N/c1-9(2)11(13,14)8-18-6-4-10(3,5-7-18)12(15,16)17/h1,4-8H2,2-3H3
InChIKeyOQVQUVIXFQMTLB-UHFFFAOYSA-N
XLogP3.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-4-methylidenepiperidine;1,1,1-trifluoroethane
CID 54257027
4-Tert-butyl-1-(3,4,4-trifluorobut-3-enyl)piperidine
CID 58974891
1-[1,2-Difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]-3,5-bis(trifluoromethyl)piperidine
CID 124118178
1-[1,2-Difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]piperidine
CID 124118182
1-(1,2,2-Trifluoro-3-methylbut-3-enyl)piperidine
CID 124118195
3,5-Bis(trifluoromethyl)-1-(1,2,2-trifluoro-3-methylbut-3-enyl)piperidine
CID 124118197
1-(1,1,2,3,3-Pentafluoro-4-methylpent-4-enyl)piperidine
CID 134384141
1-(1,1,2,3,3-Pentafluoro-4-methylpent-4-enyl)-3,5-bis(trifluoromethyl)piperidine
CID 134384146
1-(1,1,2,3,3-Pentafluoro-4-methylpent-4-enyl)-4-(trifluoromethyl)piperidine
CID 134384155
1-(1,2-Difluoro-2,3-dimethylbut-3-enyl)piperidine
CID 134531058
3,5-Dimethyl-1-(1,2,2-trifluoro-3-methylbut-3-enyl)piperidine
CID 134531065
3-Fluoro-4-methyl-1-(3-methylidenepentyl)piperidine
CID 135273853

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-3-methylbut-3-enyl)-4-methyl-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-(2,2-difluoro-3-methylbut-3-enyl)-4-methyl-4-(trifluoromethyl)piperidine (CID 177030667) is 1-(2,2-difluoro-3-methylbut-3-enyl)-4-methyl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(2,2-difluoro-3-methylbut-3-enyl)-4-methyl-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(2,2-difluoro-3-methylbut-3-enyl)-4-methyl-4-(trifluoromethyl)piperidine is C=C(C)C(F)(F)CN1CCC(C)(C(F)(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoro-3-methylbut-3-enyl)-4-methyl-4-(trifluoromethyl)piperidine?
The InChIKey is OQVQUVIXFQMTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F5N/c1-9(2)11(13,14)8-18-6-4-10(3,5-7-18)12(15,16)17/h1,4-8H2,2-3H3.
What are the key properties of 1-(2,2-difluoro-3-methylbut-3-enyl)-4-methyl-4-(trifluoromethyl)piperidine?
1-(2,2-difluoro-3-methylbut-3-enyl)-4-methyl-4-(trifluoromethyl)piperidine has a molecular weight of 271.27 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-3-methylbut-3-enyl)-4-methyl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 177030667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).