5-fluoro-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole

C6H10FNO — CID 174266301

IUPAC5-fluoro-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
SMILESFN1CC2COCC2C1
InChIInChI=1S/C6H10FNO/c7-8-1-5-3-9-4-6(5)2-8/h5-6H,1-4H2
InChIKeyQABBZSISQSEDSL-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.45
Rot. Bonds

About 5-fluoro-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole

5-fluoro-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole (PubChem CID 174266301) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 5-fluoro-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole.

Molecular Properties

Compound Name5-fluoro-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
PubChem CID174266301
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name5-fluoro-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
SMILESFN1CC2COCC2C1
InChIInChI=1S/C6H10FNO/c7-8-1-5-3-9-4-6(5)2-8/h5-6H,1-4H2
InChIKeyQABBZSISQSEDSL-UHFFFAOYSA-N
XLogP0.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The IUPAC name of 5-fluoro-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole (CID 174266301) is 5-fluoro-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole.
What is the SMILES notation for 5-fluoro-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The canonical SMILES for 5-fluoro-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole is FN1CC2COCC2C1.
What is the InChIKey of 5-fluoro-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The InChIKey is QABBZSISQSEDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c7-8-1-5-3-9-4-6(5)2-8/h5-6H,1-4H2.
What are the key properties of 5-fluoro-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
5-fluoro-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole has a molecular weight of 131.15 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole is sourced from PubChem (CID 174266301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).