3-ethenyl-3-fluoro-1-methylpyrrolidine

C7H12FN — CID 152894318

IUPAC3-ethenyl-3-fluoro-1-methylpyrrolidine
SMILESC=CC1(F)CCN(C)C1
InChIInChI=1S/C7H12FN/c1-3-7(8)4-5-9(2)6-7/h3H,1,4-6H2,2H3
InChIKeyUEBCTNBCAHBPPC-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.22
Rot. Bonds1

About 3-ethenyl-3-fluoro-1-methylpyrrolidine

3-ethenyl-3-fluoro-1-methylpyrrolidine (PubChem CID 152894318) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 3-ethenyl-3-fluoro-1-methylpyrrolidine.

Molecular Properties

Compound Name3-ethenyl-3-fluoro-1-methylpyrrolidine
PubChem CID152894318
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name3-ethenyl-3-fluoro-1-methylpyrrolidine
SMILESC=CC1(F)CCN(C)C1
InChIInChI=1S/C7H12FN/c1-3-7(8)4-5-9(2)6-7/h3H,1,4-6H2,2H3
InChIKeyUEBCTNBCAHBPPC-UHFFFAOYSA-N
XLogP1.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1,2-Difluoro-2-methylbut-3-enyl)pyrrolidine
CID 134531037
(3R,4R)-3-ethenyl-4-fluoro-1-methylpyrrolidine
CID 144716687
(3R)-3-ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 165136249
(3R)-3-ethenyl-3-fluoro-1-(2-methylpropyl)pyrrolidine
CID 177368001
1-But-3-enyl-3-fluoro-3-methylpyrrolidine
CID 130611904
3-Ethenyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 162620548
3-Ethenyl-1-methylpyrrolidine
CID 17794932
(3R)-3-ethenyl-1-methylpyrrolidine
CID 58057080
(3S)-3-ethenyl-1-methylpyrrolidine
CID 134577901
6-Methyl-6-azaspiro[2.4]hept-1-ene
CID 147002571
3-Ethenyl-1-ethylpyrrolidine
CID 150632984
1,3-Dimethylpyrrolidine;4-fluoro-3-methylbut-1-ene
CID 177054127

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-3-fluoro-1-methylpyrrolidine?
The IUPAC name of 3-ethenyl-3-fluoro-1-methylpyrrolidine (CID 152894318) is 3-ethenyl-3-fluoro-1-methylpyrrolidine.
What is the SMILES notation for 3-ethenyl-3-fluoro-1-methylpyrrolidine?
The canonical SMILES for 3-ethenyl-3-fluoro-1-methylpyrrolidine is C=CC1(F)CCN(C)C1.
What is the InChIKey of 3-ethenyl-3-fluoro-1-methylpyrrolidine?
The InChIKey is UEBCTNBCAHBPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-3-7(8)4-5-9(2)6-7/h3H,1,4-6H2,2H3.
What are the key properties of 3-ethenyl-3-fluoro-1-methylpyrrolidine?
3-ethenyl-3-fluoro-1-methylpyrrolidine has a molecular weight of 129.18 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3-fluoro-1-methylpyrrolidine is sourced from PubChem (CID 152894318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).