2-ethenyl-3,3-difluoro-1-methylpyrrolidine

C7H11F2N — CID 169182565

IUPAC2-ethenyl-3,3-difluoro-1-methylpyrrolidine
SMILESC=CC1N(C)CCC1(F)F
InChIInChI=1S/C7H11F2N/c1-3-6-7(8,9)4-5-10(6)2/h3,6H,1,4-5H2,2H3
InChIKeyWFAZMFXERPNACP-UHFFFAOYSA-N
MW147.17 g/mol
LogP1.51
Rot. Bonds1

About 2-ethenyl-3,3-difluoro-1-methylpyrrolidine

2-ethenyl-3,3-difluoro-1-methylpyrrolidine (PubChem CID 169182565) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is 2-ethenyl-3,3-difluoro-1-methylpyrrolidine.

Molecular Properties

Compound Name2-ethenyl-3,3-difluoro-1-methylpyrrolidine
PubChem CID169182565
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name2-ethenyl-3,3-difluoro-1-methylpyrrolidine
SMILESC=CC1N(C)CCC1(F)F
InChIInChI=1S/C7H11F2N/c1-3-6-7(8,9)4-5-10(6)2/h3,6H,1,4-5H2,2H3
InChIKeyWFAZMFXERPNACP-UHFFFAOYSA-N
XLogP1.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 51.51
H-Bond Donors ≤ 50
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 2-ethenyl-3,3-difluoro-1-methylpyrrolidine?
The IUPAC name of 2-ethenyl-3,3-difluoro-1-methylpyrrolidine (CID 169182565) is 2-ethenyl-3,3-difluoro-1-methylpyrrolidine.
What is the SMILES notation for 2-ethenyl-3,3-difluoro-1-methylpyrrolidine?
The canonical SMILES for 2-ethenyl-3,3-difluoro-1-methylpyrrolidine is C=CC1N(C)CCC1(F)F.
What is the InChIKey of 2-ethenyl-3,3-difluoro-1-methylpyrrolidine?
The InChIKey is WFAZMFXERPNACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N/c1-3-6-7(8,9)4-5-10(6)2/h3,6H,1,4-5H2,2H3.
What are the key properties of 2-ethenyl-3,3-difluoro-1-methylpyrrolidine?
2-ethenyl-3,3-difluoro-1-methylpyrrolidine has a molecular weight of 147.17 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3,3-difluoro-1-methylpyrrolidine is sourced from PubChem (CID 169182565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).