3,5-dimethyl-1-(1,2,2-trifluorobut-3-enyl)piperidine

C11H18F3N — CID 134531078

IUPAC3,5-dimethyl-1-(1,2,2-trifluorobut-3-enyl)piperidine
SMILESC=CC(F)(F)C(F)N1CC(C)CC(C)C1
InChIInChI=1S/C11H18F3N/c1-4-11(13,14)10(12)15-6-8(2)5-9(3)7-15/h4,8-10H,1,5-7H2,2-3H3
InChIKeySUSDYPCUKGQRGC-UHFFFAOYSA-N
MW221.27 g/mol
LogP3.08
Rot. Bonds3

About 3,5-dimethyl-1-(1,2,2-trifluorobut-3-enyl)piperidine

3,5-dimethyl-1-(1,2,2-trifluorobut-3-enyl)piperidine (PubChem CID 134531078) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is 3,5-dimethyl-1-(1,2,2-trifluorobut-3-enyl)piperidine.

Molecular Properties

Compound Name3,5-dimethyl-1-(1,2,2-trifluorobut-3-enyl)piperidine
PubChem CID134531078
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name3,5-dimethyl-1-(1,2,2-trifluorobut-3-enyl)piperidine
SMILESC=CC(F)(F)C(F)N1CC(C)CC(C)C1
InChIInChI=1S/C11H18F3N/c1-4-11(13,14)10(12)15-6-8(2)5-9(3)7-15/h4,8-10H,1,5-7H2,2-3H3
InChIKeySUSDYPCUKGQRGC-UHFFFAOYSA-N
XLogP3.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(1,2,2-trifluorobut-3-enyl)piperidine?
The IUPAC name of 3,5-dimethyl-1-(1,2,2-trifluorobut-3-enyl)piperidine (CID 134531078) is 3,5-dimethyl-1-(1,2,2-trifluorobut-3-enyl)piperidine.
What is the SMILES notation for 3,5-dimethyl-1-(1,2,2-trifluorobut-3-enyl)piperidine?
The canonical SMILES for 3,5-dimethyl-1-(1,2,2-trifluorobut-3-enyl)piperidine is C=CC(F)(F)C(F)N1CC(C)CC(C)C1.
What is the InChIKey of 3,5-dimethyl-1-(1,2,2-trifluorobut-3-enyl)piperidine?
The InChIKey is SUSDYPCUKGQRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N/c1-4-11(13,14)10(12)15-6-8(2)5-9(3)7-15/h4,8-10H,1,5-7H2,2-3H3.
What are the key properties of 3,5-dimethyl-1-(1,2,2-trifluorobut-3-enyl)piperidine?
3,5-dimethyl-1-(1,2,2-trifluorobut-3-enyl)piperidine has a molecular weight of 221.27 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(1,2,2-trifluorobut-3-enyl)piperidine is sourced from PubChem (CID 134531078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).