3-fluoro-3-prop-1-en-2-ylpyrrolidine

C7H12FN — CID 112564447

IUPAC3-fluoro-3-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)C1(F)CCNC1
InChIInChI=1S/C7H12FN/c1-6(2)7(8)3-4-9-5-7/h9H,1,3-5H2,2H3
InChIKeyDGEVWWKTLJVMOZ-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.26
Rot. Bonds1

About 3-fluoro-3-prop-1-en-2-ylpyrrolidine

3-fluoro-3-prop-1-en-2-ylpyrrolidine (PubChem CID 112564447) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 3-fluoro-3-prop-1-en-2-ylpyrrolidine.

Molecular Properties

Compound Name3-fluoro-3-prop-1-en-2-ylpyrrolidine
PubChem CID112564447
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name3-fluoro-3-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)C1(F)CCNC1
InChIInChI=1S/C7H12FN/c1-6(2)7(8)3-4-9-5-7/h9H,1,3-5H2,2H3
InChIKeyDGEVWWKTLJVMOZ-UHFFFAOYSA-N
XLogP1.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
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-prop-1-en-2-ylpyrrolidine?
The IUPAC name of 3-fluoro-3-prop-1-en-2-ylpyrrolidine (CID 112564447) is 3-fluoro-3-prop-1-en-2-ylpyrrolidine.
What is the SMILES notation for 3-fluoro-3-prop-1-en-2-ylpyrrolidine?
The canonical SMILES for 3-fluoro-3-prop-1-en-2-ylpyrrolidine is C=C(C)C1(F)CCNC1.
What is the InChIKey of 3-fluoro-3-prop-1-en-2-ylpyrrolidine?
The InChIKey is DGEVWWKTLJVMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-6(2)7(8)3-4-9-5-7/h9H,1,3-5H2,2H3.
What are the key properties of 3-fluoro-3-prop-1-en-2-ylpyrrolidine?
3-fluoro-3-prop-1-en-2-ylpyrrolidine has a molecular weight of 129.18 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-prop-1-en-2-ylpyrrolidine is sourced from PubChem (CID 112564447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).