3-fluoro-3-methyl-1-prop-2-enylpyrrolidine

C8H14FN — CID 127002185

IUPAC3-fluoro-3-methyl-1-prop-2-enylpyrrolidine
SMILESC=CCN1CCC(C)(F)C1
InChIInChI=1S/C8H14FN/c1-3-5-10-6-4-8(2,9)7-10/h3H,1,4-7H2,2H3
InChIKeyCJWLCADMRLFIDY-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.61
Rot. Bonds2

About 3-fluoro-3-methyl-1-prop-2-enylpyrrolidine

3-fluoro-3-methyl-1-prop-2-enylpyrrolidine (PubChem CID 127002185) has the molecular formula C8H14FN and a molecular weight of 143.21 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-prop-2-enylpyrrolidine
PubChem CID127002185
Molecular FormulaC8H14FN
Molecular Weight143.21 g/mol
Exact Mass143.11
IUPAC Name3-fluoro-3-methyl-1-prop-2-enylpyrrolidine
SMILESC=CCN1CCC(C)(F)C1
InChIInChI=1S/C8H14FN/c1-3-5-10-6-4-8(2,9)7-10/h3H,1,4-7H2,2H3
InChIKeyCJWLCADMRLFIDY-UHFFFAOYSA-N
XLogP1.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-1-prop-2-enylpyrrolidine?
The IUPAC name of 3-fluoro-3-methyl-1-prop-2-enylpyrrolidine (CID 127002185) is 3-fluoro-3-methyl-1-prop-2-enylpyrrolidine.
What is the SMILES notation for 3-fluoro-3-methyl-1-prop-2-enylpyrrolidine?
The canonical SMILES for 3-fluoro-3-methyl-1-prop-2-enylpyrrolidine is C=CCN1CCC(C)(F)C1.
What is the InChIKey of 3-fluoro-3-methyl-1-prop-2-enylpyrrolidine?
The InChIKey is CJWLCADMRLFIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c1-3-5-10-6-4-8(2,9)7-10/h3H,1,4-7H2,2H3.
What are the key properties of 3-fluoro-3-methyl-1-prop-2-enylpyrrolidine?
3-fluoro-3-methyl-1-prop-2-enylpyrrolidine has a molecular weight of 143.21 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-1-prop-2-enylpyrrolidine is sourced from PubChem (CID 127002185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).