3,3-difluoro-4-prop-2-enylpyrrolidine

C7H11F2N — CID 130916482

IUPAC3,3-difluoro-4-prop-2-enylpyrrolidine
SMILESC=CCC1CNCC1(F)F
InChIInChI=1S/C7H11F2N/c1-2-3-6-4-10-5-7(6,8)9/h2,6,10H,1,3-5H2
InChIKeyVDJYKULSNIPHRC-UHFFFAOYSA-N
MW147.17 g/mol
LogP1.42
Rot. Bonds2

About 3,3-difluoro-4-prop-2-enylpyrrolidine

3,3-difluoro-4-prop-2-enylpyrrolidine (PubChem CID 130916482) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is 3,3-difluoro-4-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-4-prop-2-enylpyrrolidine
PubChem CID130916482
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name3,3-difluoro-4-prop-2-enylpyrrolidine
SMILESC=CCC1CNCC1(F)F
InChIInChI=1S/C7H11F2N/c1-2-3-6-4-10-5-7(6,8)9/h2,6,10H,1,3-5H2
InChIKeyVDJYKULSNIPHRC-UHFFFAOYSA-N
XLogP1.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 51.42
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-(Prop-2-en-1-yl)pyrrolidine hydrochloride
CID 134690951
3-(Prop-2-en-1-yl)pyrrolidine
CID 53417317
3-Ethenyl-4-fluoropyrrolidine
CID 67453064
(3S)-3-fluoro-3-prop-2-enylpyrrolidine
CID 89317965
3-Fluoro-4-prop-1-en-2-ylpyrrolidine
CID 123754739
4-(Difluoromethylidene)-2-ethenylpyrrolidine
CID 126638465
3-(2,2-Difluorovinyl)pyrrolidine
CID 141166321
(3S)-3-(2,2-difluoroethenyl)pyrrolidine
CID 141166322
(3S,4S)-3-ethenyl-4-fluoropyrrolidine
CID 141285766
(3R,4R)-3-ethenyl-4-fluoropyrrolidine
CID 141308411
4-(2,2-Difluoroethyl)-2-methylidenepyrrolidine
CID 144173366
(3S,4R)-3-ethenyl-4-fluoropyrrolidine
CID 169587120

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-prop-2-enylpyrrolidine?
The IUPAC name of 3,3-difluoro-4-prop-2-enylpyrrolidine (CID 130916482) is 3,3-difluoro-4-prop-2-enylpyrrolidine.
What is the SMILES notation for 3,3-difluoro-4-prop-2-enylpyrrolidine?
The canonical SMILES for 3,3-difluoro-4-prop-2-enylpyrrolidine is C=CCC1CNCC1(F)F.
What is the InChIKey of 3,3-difluoro-4-prop-2-enylpyrrolidine?
The InChIKey is VDJYKULSNIPHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N/c1-2-3-6-4-10-5-7(6,8)9/h2,6,10H,1,3-5H2.
What are the key properties of 3,3-difluoro-4-prop-2-enylpyrrolidine?
3,3-difluoro-4-prop-2-enylpyrrolidine has a molecular weight of 147.17 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-prop-2-enylpyrrolidine is sourced from PubChem (CID 130916482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).