1-(4-fluoro-3-iodophenyl)pyrrolidine

C10H11FIN — CID 168512931

IUPAC1-(4-fluoro-3-iodophenyl)pyrrolidine
SMILESFc1ccc(N2CCCC2)cc1I
InChIInChI=1S/C10H11FIN/c11-9-4-3-8(7-10(9)12)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2
InChIKeyDUSFFVRPOVSHJH-UHFFFAOYSA-N
MW291.11 g/mol
LogP3.03
Rot. Bonds1

About 1-(4-fluoro-3-iodophenyl)pyrrolidine

1-(4-fluoro-3-iodophenyl)pyrrolidine (PubChem CID 168512931) has the molecular formula C10H11FIN and a molecular weight of 291.11 g/mol. Its IUPAC name is 1-(4-fluoro-3-iodophenyl)pyrrolidine.

Molecular Properties

Compound Name1-(4-fluoro-3-iodophenyl)pyrrolidine
PubChem CID168512931
Molecular FormulaC10H11FIN
Molecular Weight291.11 g/mol
Exact Mass290.99
IUPAC Name1-(4-fluoro-3-iodophenyl)pyrrolidine
SMILESFc1ccc(N2CCCC2)cc1I
InChIInChI=1S/C10H11FIN/c11-9-4-3-8(7-10(9)12)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2
InChIKeyDUSFFVRPOVSHJH-UHFFFAOYSA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.11
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-iodophenyl)pyrrolidine?
The IUPAC name of 1-(4-fluoro-3-iodophenyl)pyrrolidine (CID 168512931) is 1-(4-fluoro-3-iodophenyl)pyrrolidine.
What is the SMILES notation for 1-(4-fluoro-3-iodophenyl)pyrrolidine?
The canonical SMILES for 1-(4-fluoro-3-iodophenyl)pyrrolidine is Fc1ccc(N2CCCC2)cc1I.
What is the InChIKey of 1-(4-fluoro-3-iodophenyl)pyrrolidine?
The InChIKey is DUSFFVRPOVSHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FIN/c11-9-4-3-8(7-10(9)12)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2.
What are the key properties of 1-(4-fluoro-3-iodophenyl)pyrrolidine?
1-(4-fluoro-3-iodophenyl)pyrrolidine has a molecular weight of 291.11 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-iodophenyl)pyrrolidine is sourced from PubChem (CID 168512931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).