2-(fluoromethyl)-1-(3-iodopropyl)pyrrolidine

C8H15FIN — CID 131219742

IUPAC2-(fluoromethyl)-1-(3-iodopropyl)pyrrolidine
SMILESFCC1CCCN1CCCI
InChIInChI=1S/C8H15FIN/c9-7-8-3-1-5-11(8)6-2-4-10/h8H,1-7H2
InChIKeyDSBYWYIRNKOWPR-UHFFFAOYSA-N
MW271.12 g/mol
LogP2.25
Rot. Bonds4

About 2-(fluoromethyl)-1-(3-iodopropyl)pyrrolidine

2-(fluoromethyl)-1-(3-iodopropyl)pyrrolidine (PubChem CID 131219742) has the molecular formula C8H15FIN and a molecular weight of 271.12 g/mol. Its IUPAC name is 2-(fluoromethyl)-1-(3-iodopropyl)pyrrolidine.

Molecular Properties

Compound Name2-(fluoromethyl)-1-(3-iodopropyl)pyrrolidine
PubChem CID131219742
Molecular FormulaC8H15FIN
Molecular Weight271.12 g/mol
Exact Mass271.02
IUPAC Name2-(fluoromethyl)-1-(3-iodopropyl)pyrrolidine
SMILESFCC1CCCN1CCCI
InChIInChI=1S/C8H15FIN/c9-7-8-3-1-5-11(8)6-2-4-10/h8H,1-7H2
InChIKeyDSBYWYIRNKOWPR-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 52.25
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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Related Compounds

3-[2-(fluoromethyl)piperidin-1-yl]propan-1-ol
CID 67281164
2-(fluoromethyl)-1-(2-methylsulfanylethyl)pyrrolidine
CID 131219738
3-[2-(2-fluoroethyl)pyrrolidin-1-yl]propan-1-ol
CID 67281651
(2R)-2-(fluoromethyl)-1-(2-methylpropyl)pyrrolidine
CID 165411366
1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine
CID 163972118
[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331
1-butylpyrrolidin-2-amine
CID 152748191
3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol
CID 80601823
2-[1-(3-fluoropropyl)piperidin-2-yl]ethanol
CID 81113088
ethane;[1-(2-fluoroethyl)pyrrolidin-2-yl]methanol
CID 164922093
2-ethyl-1-undecylpyrrolidine
CID 171569857
[1-(3-aminopropyl)pyrrolidin-2-yl]methanol;dihydrochloride
CID 175453731

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-1-(3-iodopropyl)pyrrolidine?
The IUPAC name of 2-(fluoromethyl)-1-(3-iodopropyl)pyrrolidine (CID 131219742) is 2-(fluoromethyl)-1-(3-iodopropyl)pyrrolidine.
What is the SMILES notation for 2-(fluoromethyl)-1-(3-iodopropyl)pyrrolidine?
The canonical SMILES for 2-(fluoromethyl)-1-(3-iodopropyl)pyrrolidine is FCC1CCCN1CCCI.
What is the InChIKey of 2-(fluoromethyl)-1-(3-iodopropyl)pyrrolidine?
The InChIKey is DSBYWYIRNKOWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FIN/c9-7-8-3-1-5-11(8)6-2-4-10/h8H,1-7H2.
What are the key properties of 2-(fluoromethyl)-1-(3-iodopropyl)pyrrolidine?
2-(fluoromethyl)-1-(3-iodopropyl)pyrrolidine has a molecular weight of 271.12 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-1-(3-iodopropyl)pyrrolidine is sourced from PubChem (CID 131219742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).