2-(3-chloro-4-fluorocyclohexen-1-yl)piperidine

C11H17ClFN — CID 70329150

IUPAC2-(3-chloro-4-fluorocyclohexen-1-yl)piperidine
SMILESFC1CCC(C2CCCCN2)=CC1Cl
InChIInChI=1S/C11H17ClFN/c12-9-7-8(4-5-10(9)13)11-3-1-2-6-14-11/h7,9-11,14H,1-6H2
InChIKeyFMNNAFPFLRBVIA-UHFFFAOYSA-N
MW217.71 g/mol
LogP2.79
Rot. Bonds1

About 2-(3-chloro-4-fluorocyclohexen-1-yl)piperidine

2-(3-chloro-4-fluorocyclohexen-1-yl)piperidine (PubChem CID 70329150) has the molecular formula C11H17ClFN and a molecular weight of 217.71 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorocyclohexen-1-yl)piperidine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorocyclohexen-1-yl)piperidine
PubChem CID70329150
Molecular FormulaC11H17ClFN
Molecular Weight217.71 g/mol
Exact Mass217.10
IUPAC Name2-(3-chloro-4-fluorocyclohexen-1-yl)piperidine
SMILESFC1CCC(C2CCCCN2)=CC1Cl
InChIInChI=1S/C11H17ClFN/c12-9-7-8(4-5-10(9)13)11-3-1-2-6-14-11/h7,9-11,14H,1-6H2
InChIKeyFMNNAFPFLRBVIA-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.71
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorocyclohexen-1-yl)piperidine?
The IUPAC name of 2-(3-chloro-4-fluorocyclohexen-1-yl)piperidine (CID 70329150) is 2-(3-chloro-4-fluorocyclohexen-1-yl)piperidine.
What is the SMILES notation for 2-(3-chloro-4-fluorocyclohexen-1-yl)piperidine?
The canonical SMILES for 2-(3-chloro-4-fluorocyclohexen-1-yl)piperidine is FC1CCC(C2CCCCN2)=CC1Cl.
What is the InChIKey of 2-(3-chloro-4-fluorocyclohexen-1-yl)piperidine?
The InChIKey is FMNNAFPFLRBVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClFN/c12-9-7-8(4-5-10(9)13)11-3-1-2-6-14-11/h7,9-11,14H,1-6H2.
What are the key properties of 2-(3-chloro-4-fluorocyclohexen-1-yl)piperidine?
2-(3-chloro-4-fluorocyclohexen-1-yl)piperidine has a molecular weight of 217.71 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorocyclohexen-1-yl)piperidine is sourced from PubChem (CID 70329150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).