1-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]piperidine

C11H18F3N — CID 140996572

IUPAC1-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]piperidine
SMILESC/C(=C/CCN1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H18F3N/c1-10(11(12,13)14)6-5-9-15-7-3-2-4-8-15/h6H,2-5,7-9H2,1H3/b10-6-
InChIKeyWMSBJLKGGQIJLE-POHAHGRESA-N
MW221.27 g/mol
LogP3.37
Rot. Bonds3

About 1-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]piperidine

1-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]piperidine (PubChem CID 140996572) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is 1-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]piperidine.

Molecular Properties

Compound Name1-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]piperidine
PubChem CID140996572
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name1-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]piperidine
SMILESC/C(=C/CCN1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H18F3N/c1-10(11(12,13)14)6-5-9-15-7-3-2-4-8-15/h6H,2-5,7-9H2,1H3/b10-6-
InChIKeyWMSBJLKGGQIJLE-POHAHGRESA-N
XLogP3.37
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 ≤ 53.37
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

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4-(1-Fluoroethylidene)-1-methylpiperidine
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4-Methylidene-1-(2,2,2-trifluoroethyl)piperidine
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1-(2,2-Difluoroethyl)-4-methylidenepiperidine
CID 58902726
4-methyl-1-(3,3,3-trifluoropropyl)-3,6-dihydro-2H-pyridine
CID 69929361
4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 89078466
1-[(4E,6Z,8E)-6-methyl-8-(trifluoromethyl)deca-4,6,8-trienyl]piperidine
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1-[2-(Trifluoromethyl)cyclohexa-2,5-dien-1-yl]piperidine
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CID 91452600

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]piperidine?
The IUPAC name of 1-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]piperidine (CID 140996572) is 1-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]piperidine.
What is the SMILES notation for 1-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]piperidine?
The canonical SMILES for 1-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]piperidine is C/C(=C/CCN1CCCCC1)C(F)(F)F.
What is the InChIKey of 1-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]piperidine?
The InChIKey is WMSBJLKGGQIJLE-POHAHGRESA-N. The full InChI is InChI=1S/C11H18F3N/c1-10(11(12,13)14)6-5-9-15-7-3-2-4-8-15/h6H,2-5,7-9H2,1H3/b10-6-.
What are the key properties of 1-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]piperidine?
1-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]piperidine has a molecular weight of 221.27 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]piperidine is sourced from PubChem (CID 140996572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).