2-fluoro-5-(5-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine

C10H13F2N — CID 138494351

IUPAC2-fluoro-5-(5-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine
SMILESFC1=CC(C2CCC(F)N2)=CCC1
InChIInChI=1S/C10H13F2N/c11-8-3-1-2-7(6-8)9-4-5-10(12)13-9/h2,6,9-10,13H,1,3-5H2
InChIKeyWMAODMXOFOIBLS-UHFFFAOYSA-N
MW185.22 g/mol
LogP2.61
Rot. Bonds1

About 2-fluoro-5-(5-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine

2-fluoro-5-(5-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine (PubChem CID 138494351) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-fluoro-5-(5-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine.

Molecular Properties

Compound Name2-fluoro-5-(5-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine
PubChem CID138494351
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name2-fluoro-5-(5-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine
SMILESFC1=CC(C2CCC(F)N2)=CCC1
InChIInChI=1S/C10H13F2N/c11-8-3-1-2-7(6-8)9-4-5-10(12)13-9/h2,6,9-10,13H,1,3-5H2
InChIKeyWMAODMXOFOIBLS-UHFFFAOYSA-N
XLogP2.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(5-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine?
The IUPAC name of 2-fluoro-5-(5-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine (CID 138494351) is 2-fluoro-5-(5-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine.
What is the SMILES notation for 2-fluoro-5-(5-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine?
The canonical SMILES for 2-fluoro-5-(5-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine is FC1=CC(C2CCC(F)N2)=CCC1.
What is the InChIKey of 2-fluoro-5-(5-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine?
The InChIKey is WMAODMXOFOIBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N/c11-8-3-1-2-7(6-8)9-4-5-10(12)13-9/h2,6,9-10,13H,1,3-5H2.
What are the key properties of 2-fluoro-5-(5-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine?
2-fluoro-5-(5-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine has a molecular weight of 185.22 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(5-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine is sourced from PubChem (CID 138494351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).