2-ethenyl-4,4-difluoro-1,2-dimethylpyrrolidine

C8H13F2N — CID 154472601

IUPAC2-ethenyl-4,4-difluoro-1,2-dimethylpyrrolidine
SMILESC=CC1(C)CC(F)(F)CN1C
InChIInChI=1S/C8H13F2N/c1-4-7(2)5-8(9,10)6-11(7)3/h4H,1,5-6H2,2-3H3
InChIKeySJLCTWFAUQRQGY-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.90
Rot. Bonds1

About 2-ethenyl-4,4-difluoro-1,2-dimethylpyrrolidine

2-ethenyl-4,4-difluoro-1,2-dimethylpyrrolidine (PubChem CID 154472601) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 2-ethenyl-4,4-difluoro-1,2-dimethylpyrrolidine.

Molecular Properties

Compound Name2-ethenyl-4,4-difluoro-1,2-dimethylpyrrolidine
PubChem CID154472601
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name2-ethenyl-4,4-difluoro-1,2-dimethylpyrrolidine
SMILESC=CC1(C)CC(F)(F)CN1C
InChIInChI=1S/C8H13F2N/c1-4-7(2)5-8(9,10)6-11(7)3/h4H,1,5-6H2,2-3H3
InChIKeySJLCTWFAUQRQGY-UHFFFAOYSA-N
XLogP1.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.90
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

3,3-Difluoro-1-(2-methylbut-3-en-2-yl)pyrrolidine
CID 142596240
(3R)-1-tert-butyl-3-(1,1-difluoropent-4-enyl)pyrrolidine
CID 151270858
1-[2-Fluoro-3-(trifluoromethyl)pent-1-en-3-yl]pyrrolidine
CID 163550256
1-(2-Fluoroethyl)-2-methyl-2-prop-2-enylpyrrolidine
CID 166974420
2-Ethyl-2-(1-fluoroethenyl)-1-methylpyrrolidine
CID 169130391
(2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine
CID 172288850
1-Tert-butyl-4-(difluoromethylidene)-2,2-dimethylpyrrolidine
CID 176294911
(4Z)-4-(fluoromethylidene)-1,2,2-trimethylpyrrolidine
CID 176919452
1-[(E)-2,2-difluoropent-3-enyl]-2,2-dimethylpyrrolidine
CID 177031720
1,2-Bis(ethenyl)-2-methylpyrrolidine
CID 134972345
(2S)-1,2-bis(ethenyl)-2-methylpyrrolidine
CID 134972463
3,3,4-Trifluoro-1-methyl-4-prop-2-enylpyrrolidine
CID 162553149

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4,4-difluoro-1,2-dimethylpyrrolidine?
The IUPAC name of 2-ethenyl-4,4-difluoro-1,2-dimethylpyrrolidine (CID 154472601) is 2-ethenyl-4,4-difluoro-1,2-dimethylpyrrolidine.
What is the SMILES notation for 2-ethenyl-4,4-difluoro-1,2-dimethylpyrrolidine?
The canonical SMILES for 2-ethenyl-4,4-difluoro-1,2-dimethylpyrrolidine is C=CC1(C)CC(F)(F)CN1C.
What is the InChIKey of 2-ethenyl-4,4-difluoro-1,2-dimethylpyrrolidine?
The InChIKey is SJLCTWFAUQRQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-4-7(2)5-8(9,10)6-11(7)3/h4H,1,5-6H2,2-3H3.
What are the key properties of 2-ethenyl-4,4-difluoro-1,2-dimethylpyrrolidine?
2-ethenyl-4,4-difluoro-1,2-dimethylpyrrolidine has a molecular weight of 161.19 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4,4-difluoro-1,2-dimethylpyrrolidine is sourced from PubChem (CID 154472601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).