3-fluoro-4-prop-1-en-2-ylpyrrolidine

C7H12FN — CID 123754739

IUPAC3-fluoro-4-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)C1CNCC1F
InChIInChI=1S/C7H12FN/c1-5(2)6-3-9-4-7(6)8/h6-7,9H,1,3-4H2,2H3
InChIKeyOXMIIZQEFYSQMG-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.12
Rot. Bonds1

About 3-fluoro-4-prop-1-en-2-ylpyrrolidine

3-fluoro-4-prop-1-en-2-ylpyrrolidine (PubChem CID 123754739) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 3-fluoro-4-prop-1-en-2-ylpyrrolidine.

Molecular Properties

Compound Name3-fluoro-4-prop-1-en-2-ylpyrrolidine
PubChem CID123754739
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name3-fluoro-4-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)C1CNCC1F
InChIInChI=1S/C7H12FN/c1-5(2)6-3-9-4-7(6)8/h6-7,9H,1,3-4H2,2H3
InChIKeyOXMIIZQEFYSQMG-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(Fluoromethyl)-4-methylidenepyrrolidine
CID 22960029
3-(Prop-2-en-1-yl)pyrrolidine
CID 53417317
(3S)-3-fluoro-3-prop-2-enylpyrrolidine
CID 89317965
2-Fluoro-4-methyl-5-methylidenepiperidine
CID 123470052
4-Allyl-3,3-difluoropyrrolidine
CID 130916482
3-Ethyl-4-fluoro-2-methyl-5-methylidenepyrrolidine
CID 139386567
(3R,4R)-3-[(Z)-but-2-en-2-yl]-4-fluoropyrrolidine
CID 146510045
(4Z)-2-ethyl-4-(fluoromethylidene)-2-methylpyrrolidine
CID 169184022
4-[(Z)-1-fluoroprop-1-en-2-yl]piperidine
CID 174359173
3-Fluoro-3-prop-2-enylpyrrolidine
CID 112564421
3-Fluoro-3-prop-1-en-2-ylpyrrolidine
CID 112564447
3-Fluoro-3-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine
CID 126982233

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-prop-1-en-2-ylpyrrolidine?
The IUPAC name of 3-fluoro-4-prop-1-en-2-ylpyrrolidine (CID 123754739) is 3-fluoro-4-prop-1-en-2-ylpyrrolidine.
What is the SMILES notation for 3-fluoro-4-prop-1-en-2-ylpyrrolidine?
The canonical SMILES for 3-fluoro-4-prop-1-en-2-ylpyrrolidine is C=C(C)C1CNCC1F.
What is the InChIKey of 3-fluoro-4-prop-1-en-2-ylpyrrolidine?
The InChIKey is OXMIIZQEFYSQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-5(2)6-3-9-4-7(6)8/h6-7,9H,1,3-4H2,2H3.
What are the key properties of 3-fluoro-4-prop-1-en-2-ylpyrrolidine?
3-fluoro-4-prop-1-en-2-ylpyrrolidine has a molecular weight of 129.18 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-prop-1-en-2-ylpyrrolidine is sourced from PubChem (CID 123754739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).