3-(cycloocten-1-yl)-3-fluoropyrrolidine

C12H20FN — CID 106655028

IUPAC3-(cycloocten-1-yl)-3-fluoropyrrolidine
SMILESFC1(C2=CCCCCCC2)CCNC1
InChIInChI=1S/C12H20FN/c13-12(8-9-14-10-12)11-6-4-2-1-3-5-7-11/h6,14H,1-5,7-10H2
InChIKeySHIVYFKBBFWTTB-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.97
Rot. Bonds1

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

3-(cycloocten-1-yl)-3-fluoropyrrolidine (PubChem CID 106655028) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is 3-(cycloocten-1-yl)-3-fluoropyrrolidine.

Molecular Properties

Compound Name3-(cycloocten-1-yl)-3-fluoropyrrolidine
PubChem CID106655028
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name3-(cycloocten-1-yl)-3-fluoropyrrolidine
SMILESFC1(C2=CCCCCCC2)CCNC1
InChIInChI=1S/C12H20FN/c13-12(8-9-14-10-12)11-6-4-2-1-3-5-7-11/h6,14H,1-5,7-10H2
InChIKeySHIVYFKBBFWTTB-UHFFFAOYSA-N
XLogP2.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(cycloocten-1-yl)-3-fluoropyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(cycloocten-1-yl)-3-fluoropyrrolidine?
The IUPAC name of 3-(cycloocten-1-yl)-3-fluoropyrrolidine (CID 106655028) is 3-(cycloocten-1-yl)-3-fluoropyrrolidine.
What is the SMILES notation for 3-(cycloocten-1-yl)-3-fluoropyrrolidine?
The canonical SMILES for 3-(cycloocten-1-yl)-3-fluoropyrrolidine is FC1(C2=CCCCCCC2)CCNC1.
What is the InChIKey of 3-(cycloocten-1-yl)-3-fluoropyrrolidine?
The InChIKey is SHIVYFKBBFWTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN/c13-12(8-9-14-10-12)11-6-4-2-1-3-5-7-11/h6,14H,1-5,7-10H2.
What are the key properties of 3-(cycloocten-1-yl)-3-fluoropyrrolidine?
3-(cycloocten-1-yl)-3-fluoropyrrolidine has a molecular weight of 197.30 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloocten-1-yl)-3-fluoropyrrolidine is sourced from PubChem (CID 106655028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).