ethane;2-ethenyl-4,4-difluoropyrrolidine

C8H15F2N — CID 142393652

IUPACethane;2-ethenyl-4,4-difluoropyrrolidine
SMILESC=CC1CC(F)(F)CN1.CC
InChIInChI=1S/C6H9F2N.C2H6/c1-2-5-3-6(7,8)4-9-5;1-2/h2,5,9H,1,3-4H2;1-2H3
InChIKeyZVKNPRPFDZAMAN-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.20
Rot. Bonds1

About ethane;2-ethenyl-4,4-difluoropyrrolidine

ethane;2-ethenyl-4,4-difluoropyrrolidine (PubChem CID 142393652) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is ethane;2-ethenyl-4,4-difluoropyrrolidine.

Molecular Properties

Compound Nameethane;2-ethenyl-4,4-difluoropyrrolidine
PubChem CID142393652
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Nameethane;2-ethenyl-4,4-difluoropyrrolidine
SMILESC=CC1CC(F)(F)CN1.CC
InChIInChI=1S/C6H9F2N.C2H6/c1-2-5-3-6(7,8)4-9-5;1-2/h2,5,9H,1,3-4H2;1-2H3
InChIKeyZVKNPRPFDZAMAN-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.20
H-Bond Donors ≤ 51
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 ethane;2-ethenyl-4,4-difluoropyrrolidine?
The IUPAC name of ethane;2-ethenyl-4,4-difluoropyrrolidine (CID 142393652) is ethane;2-ethenyl-4,4-difluoropyrrolidine.
What is the SMILES notation for ethane;2-ethenyl-4,4-difluoropyrrolidine?
The canonical SMILES for ethane;2-ethenyl-4,4-difluoropyrrolidine is C=CC1CC(F)(F)CN1.CC.
What is the InChIKey of ethane;2-ethenyl-4,4-difluoropyrrolidine?
The InChIKey is ZVKNPRPFDZAMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N.C2H6/c1-2-5-3-6(7,8)4-9-5;1-2/h2,5,9H,1,3-4H2;1-2H3.
What are the key properties of ethane;2-ethenyl-4,4-difluoropyrrolidine?
ethane;2-ethenyl-4,4-difluoropyrrolidine has a molecular weight of 163.21 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-4,4-difluoropyrrolidine is sourced from PubChem (CID 142393652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).