3-(cyclohepten-1-yl)-3-fluoropyrrolidine

C11H18FN — CID 106655029

IUPAC3-(cyclohepten-1-yl)-3-fluoropyrrolidine
SMILESFC1(C2=CCCCCC2)CCNC1
InChIInChI=1S/C11H18FN/c12-11(7-8-13-9-11)10-5-3-1-2-4-6-10/h5,13H,1-4,6-9H2
InChIKeyPJUDLGZSOOOEKS-UHFFFAOYSA-N
MW183.27 g/mol
LogP2.58
Rot. Bonds1

About 3-(cyclohepten-1-yl)-3-fluoropyrrolidine

3-(cyclohepten-1-yl)-3-fluoropyrrolidine (PubChem CID 106655029) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 3-(cyclohepten-1-yl)-3-fluoropyrrolidine.

Molecular Properties

Compound Name3-(cyclohepten-1-yl)-3-fluoropyrrolidine
PubChem CID106655029
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name3-(cyclohepten-1-yl)-3-fluoropyrrolidine
SMILESFC1(C2=CCCCCC2)CCNC1
InChIInChI=1S/C11H18FN/c12-11(7-8-13-9-11)10-5-3-1-2-4-6-10/h5,13H,1-4,6-9H2
InChIKeyPJUDLGZSOOOEKS-UHFFFAOYSA-N
XLogP2.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohepten-1-yl)-3-fluoropyrrolidine?
The IUPAC name of 3-(cyclohepten-1-yl)-3-fluoropyrrolidine (CID 106655029) is 3-(cyclohepten-1-yl)-3-fluoropyrrolidine.
What is the SMILES notation for 3-(cyclohepten-1-yl)-3-fluoropyrrolidine?
The canonical SMILES for 3-(cyclohepten-1-yl)-3-fluoropyrrolidine is FC1(C2=CCCCCC2)CCNC1.
What is the InChIKey of 3-(cyclohepten-1-yl)-3-fluoropyrrolidine?
The InChIKey is PJUDLGZSOOOEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c12-11(7-8-13-9-11)10-5-3-1-2-4-6-10/h5,13H,1-4,6-9H2.
What are the key properties of 3-(cyclohepten-1-yl)-3-fluoropyrrolidine?
3-(cyclohepten-1-yl)-3-fluoropyrrolidine has a molecular weight of 183.27 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohepten-1-yl)-3-fluoropyrrolidine is sourced from PubChem (CID 106655029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).