3-fluoro-1-(2-iodoethyl)-3-methylpyrrolidine

C7H13FIN — CID 127002189

IUPAC3-fluoro-1-(2-iodoethyl)-3-methylpyrrolidine
SMILESCC1(F)CCN(CCI)C1
InChIInChI=1S/C7H13FIN/c1-7(8)2-4-10(6-7)5-3-9/h2-6H2,1H3
InChIKeyNTCAUEIOPXQOII-UHFFFAOYSA-N
MW257.09 g/mol
LogP1.86
Rot. Bonds2

About 3-fluoro-1-(2-iodoethyl)-3-methylpyrrolidine

3-fluoro-1-(2-iodoethyl)-3-methylpyrrolidine (PubChem CID 127002189) has the molecular formula C7H13FIN and a molecular weight of 257.09 g/mol. Its IUPAC name is 3-fluoro-1-(2-iodoethyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name3-fluoro-1-(2-iodoethyl)-3-methylpyrrolidine
PubChem CID127002189
Molecular FormulaC7H13FIN
Molecular Weight257.09 g/mol
Exact Mass257.01
IUPAC Name3-fluoro-1-(2-iodoethyl)-3-methylpyrrolidine
SMILESCC1(F)CCN(CCI)C1
InChIInChI=1S/C7H13FIN/c1-7(8)2-4-10(6-7)5-3-9/h2-6H2,1H3
InChIKeyNTCAUEIOPXQOII-UHFFFAOYSA-N
XLogP1.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 51.86
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

(3R)-3-fluoro-3-methyl-1-propylpyrrolidine
CID 177367853
3-(3-fluoro-3-methylpyrrolidin-1-yl)propan-1-amine;hydrochloride
CID 115020907
4-(3-fluoro-3-methylpyrrolidin-1-yl)butanenitrile
CID 131065294
1-(2,2-dimethylpropyl)-3-fluoro-3-methylpyrrolidine
CID 58266757
5-(3-fluoro-3-methylpyrrolidin-1-yl)pentanoic acid
CID 163404212
2-(3-fluoro-3-methylpiperidin-1-yl)ethanamine
CID 115012585
3-(3-fluoro-3-methylpiperidin-1-yl)propan-1-ol
CID 126793849
1-[3-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethyl]azetidin-1-yl]ethanone
CID 163300856
ethane;3-fluoro-3-methyl-1-propylazetidine
CID 153356034
5-(3-fluoro-3-methylpyrrolidin-1-yl)-2-formamidopentanoic acid
CID 175824284
ethane;1-ethyl-3-fluoro-3-methylazetidine
CID 178155660
7-bromo-3-(2-iodoethyl)-6-methyl-3-azabicyclo[4.1.0]heptane
CID 131134400

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(2-iodoethyl)-3-methylpyrrolidine?
The IUPAC name of 3-fluoro-1-(2-iodoethyl)-3-methylpyrrolidine (CID 127002189) is 3-fluoro-1-(2-iodoethyl)-3-methylpyrrolidine.
What is the SMILES notation for 3-fluoro-1-(2-iodoethyl)-3-methylpyrrolidine?
The canonical SMILES for 3-fluoro-1-(2-iodoethyl)-3-methylpyrrolidine is CC1(F)CCN(CCI)C1.
What is the InChIKey of 3-fluoro-1-(2-iodoethyl)-3-methylpyrrolidine?
The InChIKey is NTCAUEIOPXQOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FIN/c1-7(8)2-4-10(6-7)5-3-9/h2-6H2,1H3.
What are the key properties of 3-fluoro-1-(2-iodoethyl)-3-methylpyrrolidine?
3-fluoro-1-(2-iodoethyl)-3-methylpyrrolidine has a molecular weight of 257.09 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(2-iodoethyl)-3-methylpyrrolidine is sourced from PubChem (CID 127002189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).