2-fluoro-1-prop-2-enylpyrrolidine

C7H12FN — CID 68636996

IUPAC2-fluoro-1-prop-2-enylpyrrolidine
SMILESC=CCN1CCCC1F
InChIInChI=1S/C7H12FN/c1-2-5-9-6-3-4-7(9)8/h2,7H,1,3-6H2
InChIKeyFUNLDRRQDXVIHY-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.56
Rot. Bonds2

About 2-fluoro-1-prop-2-enylpyrrolidine

2-fluoro-1-prop-2-enylpyrrolidine (PubChem CID 68636996) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 2-fluoro-1-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name2-fluoro-1-prop-2-enylpyrrolidine
PubChem CID68636996
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name2-fluoro-1-prop-2-enylpyrrolidine
SMILESC=CCN1CCCC1F
InChIInChI=1S/C7H12FN/c1-2-5-9-6-3-4-7(9)8/h2,7H,1,3-6H2
InChIKeyFUNLDRRQDXVIHY-UHFFFAOYSA-N
XLogP1.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-prop-2-enylpyrrolidine?
The IUPAC name of 2-fluoro-1-prop-2-enylpyrrolidine (CID 68636996) is 2-fluoro-1-prop-2-enylpyrrolidine.
What is the SMILES notation for 2-fluoro-1-prop-2-enylpyrrolidine?
The canonical SMILES for 2-fluoro-1-prop-2-enylpyrrolidine is C=CCN1CCCC1F.
What is the InChIKey of 2-fluoro-1-prop-2-enylpyrrolidine?
The InChIKey is FUNLDRRQDXVIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-2-5-9-6-3-4-7(9)8/h2,7H,1,3-6H2.
What are the key properties of 2-fluoro-1-prop-2-enylpyrrolidine?
2-fluoro-1-prop-2-enylpyrrolidine has a molecular weight of 129.18 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-prop-2-enylpyrrolidine is sourced from PubChem (CID 68636996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).