1-[(E)-2,2-difluoropent-3-enyl]-2,2-dimethylpyrrolidine

C11H19F2N — CID 177031720

IUPAC1-[(E)-2,2-difluoropent-3-enyl]-2,2-dimethylpyrrolidine
SMILESC/C=C/C(F)(F)CN1CCCC1(C)C
InChIInChI=1S/C11H19F2N/c1-4-6-11(12,13)9-14-8-5-7-10(14,2)3/h4,6H,5,7-9H2,1-3H3/b6-4+
InChIKeyDUNYZBVNOKWENW-GQCTYLIASA-N
MW203.28 g/mol
LogP3.07
Rot. Bonds3

About 1-[(E)-2,2-difluoropent-3-enyl]-2,2-dimethylpyrrolidine

1-[(E)-2,2-difluoropent-3-enyl]-2,2-dimethylpyrrolidine (PubChem CID 177031720) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-[(E)-2,2-difluoropent-3-enyl]-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name1-[(E)-2,2-difluoropent-3-enyl]-2,2-dimethylpyrrolidine
PubChem CID177031720
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name1-[(E)-2,2-difluoropent-3-enyl]-2,2-dimethylpyrrolidine
SMILESC/C=C/C(F)(F)CN1CCCC1(C)C
InChIInChI=1S/C11H19F2N/c1-4-6-11(12,13)9-14-8-5-7-10(14,2)3/h4,6H,5,7-9H2,1-3H3/b6-4+
InChIKeyDUNYZBVNOKWENW-GQCTYLIASA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.07
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 1-[(E)-2,2-difluoropent-3-enyl]-2,2-dimethylpyrrolidine?
The IUPAC name of 1-[(E)-2,2-difluoropent-3-enyl]-2,2-dimethylpyrrolidine (CID 177031720) is 1-[(E)-2,2-difluoropent-3-enyl]-2,2-dimethylpyrrolidine.
What is the SMILES notation for 1-[(E)-2,2-difluoropent-3-enyl]-2,2-dimethylpyrrolidine?
The canonical SMILES for 1-[(E)-2,2-difluoropent-3-enyl]-2,2-dimethylpyrrolidine is C/C=C/C(F)(F)CN1CCCC1(C)C.
What is the InChIKey of 1-[(E)-2,2-difluoropent-3-enyl]-2,2-dimethylpyrrolidine?
The InChIKey is DUNYZBVNOKWENW-GQCTYLIASA-N. The full InChI is InChI=1S/C11H19F2N/c1-4-6-11(12,13)9-14-8-5-7-10(14,2)3/h4,6H,5,7-9H2,1-3H3/b6-4+.
What are the key properties of 1-[(E)-2,2-difluoropent-3-enyl]-2,2-dimethylpyrrolidine?
1-[(E)-2,2-difluoropent-3-enyl]-2,2-dimethylpyrrolidine has a molecular weight of 203.28 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2,2-difluoropent-3-enyl]-2,2-dimethylpyrrolidine is sourced from PubChem (CID 177031720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).