(3aR,6aS)-6a-fluoro-3a-iodo-2-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole

C8H13FIN — CID 71081824

IUPAC(3aR,6aS)-6a-fluoro-3a-iodo-2-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole
SMILESCN1C[C@@]2(F)CCC[C@@]2(I)C1
InChIInChI=1S/C8H13FIN/c1-11-5-7(9)3-2-4-8(7,10)6-11/h2-6H2,1H3/t7-,8+/m0/s1
InChIKeyRMJSRKOVRVVEEM-JGVFFNPUSA-N
MW269.10 g/mol
LogP2.00
Rot. Bonds

About (3aR,6aS)-6a-fluoro-3a-iodo-2-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole

(3aR,6aS)-6a-fluoro-3a-iodo-2-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole (PubChem CID 71081824) has the molecular formula C8H13FIN and a molecular weight of 269.10 g/mol. Its IUPAC name is (3aR,6aS)-6a-fluoro-3a-iodo-2-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name(3aR,6aS)-6a-fluoro-3a-iodo-2-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole
PubChem CID71081824
Molecular FormulaC8H13FIN
Molecular Weight269.10 g/mol
Exact Mass269.01
IUPAC Name(3aR,6aS)-6a-fluoro-3a-iodo-2-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole
SMILESCN1C[C@@]2(F)CCC[C@@]2(I)C1
InChIInChI=1S/C8H13FIN/c1-11-5-7(9)3-2-4-8(7,10)6-11/h2-6H2,1H3/t7-,8+/m0/s1
InChIKeyRMJSRKOVRVVEEM-JGVFFNPUSA-N
XLogP2.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-6a-fluoro-3a-iodo-2-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of (3aR,6aS)-6a-fluoro-3a-iodo-2-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole (CID 71081824) is (3aR,6aS)-6a-fluoro-3a-iodo-2-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for (3aR,6aS)-6a-fluoro-3a-iodo-2-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for (3aR,6aS)-6a-fluoro-3a-iodo-2-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole is CN1C[C@@]2(F)CCC[C@@]2(I)C1.
What is the InChIKey of (3aR,6aS)-6a-fluoro-3a-iodo-2-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is RMJSRKOVRVVEEM-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H13FIN/c1-11-5-7(9)3-2-4-8(7,10)6-11/h2-6H2,1H3/t7-,8+/m0/s1.
What are the key properties of (3aR,6aS)-6a-fluoro-3a-iodo-2-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole?
(3aR,6aS)-6a-fluoro-3a-iodo-2-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 269.10 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-6a-fluoro-3a-iodo-2-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 71081824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).