3a-fluoro-2-iodo-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine

C7H12FIN2 — CID 138719478

IUPAC3a-fluoro-2-iodo-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
SMILESNC1CC2CN(I)CC2(F)C1
InChIInChI=1S/C7H12FIN2/c8-7-2-6(10)1-5(7)3-11(9)4-7/h5-6H,1-4,10H2
InChIKeyYQZDPMSDLPJPSS-UHFFFAOYSA-N
MW270.09 g/mol
LogP1.10
Rot. Bonds

About 3a-fluoro-2-iodo-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine

3a-fluoro-2-iodo-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine (PubChem CID 138719478) has the molecular formula C7H12FIN2 and a molecular weight of 270.09 g/mol. Its IUPAC name is 3a-fluoro-2-iodo-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine.

Molecular Properties

Compound Name3a-fluoro-2-iodo-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
PubChem CID138719478
Molecular FormulaC7H12FIN2
Molecular Weight270.09 g/mol
Exact Mass270.00
IUPAC Name3a-fluoro-2-iodo-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
SMILESNC1CC2CN(I)CC2(F)C1
InChIInChI=1S/C7H12FIN2/c8-7-2-6(10)1-5(7)3-11(9)4-7/h5-6H,1-4,10H2
InChIKeyYQZDPMSDLPJPSS-UHFFFAOYSA-N
XLogP1.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3a-fluoro-2-iodo-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
The IUPAC name of 3a-fluoro-2-iodo-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine (CID 138719478) is 3a-fluoro-2-iodo-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine.
What is the SMILES notation for 3a-fluoro-2-iodo-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
The canonical SMILES for 3a-fluoro-2-iodo-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine is NC1CC2CN(I)CC2(F)C1.
What is the InChIKey of 3a-fluoro-2-iodo-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
The InChIKey is YQZDPMSDLPJPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FIN2/c8-7-2-6(10)1-5(7)3-11(9)4-7/h5-6H,1-4,10H2.
What are the key properties of 3a-fluoro-2-iodo-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
3a-fluoro-2-iodo-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine has a molecular weight of 270.09 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-fluoro-2-iodo-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine is sourced from PubChem (CID 138719478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).