1-[(E)-1,2-difluoroprop-1-enyl]pyrrolidine

C7H11F2N — CID 174357858

IUPAC1-[(E)-1,2-difluoroprop-1-enyl]pyrrolidine
SMILESC/C(F)=C(\F)N1CCCC1
InChIInChI=1S/C7H11F2N/c1-6(8)7(9)10-4-2-3-5-10/h2-5H2,1H3/b7-6-
InChIKeyUVEJJFLTBHCGLH-SREVYHEPSA-N
MW147.17 g/mol
LogP2.21
Rot. Bonds1

About 1-[(E)-1,2-difluoroprop-1-enyl]pyrrolidine

1-[(E)-1,2-difluoroprop-1-enyl]pyrrolidine (PubChem CID 174357858) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is 1-[(E)-1,2-difluoroprop-1-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[(E)-1,2-difluoroprop-1-enyl]pyrrolidine
PubChem CID174357858
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name1-[(E)-1,2-difluoroprop-1-enyl]pyrrolidine
SMILESC/C(F)=C(\F)N1CCCC1
InChIInChI=1S/C7H11F2N/c1-6(8)7(9)10-4-2-3-5-10/h2-5H2,1H3/b7-6-
InChIKeyUVEJJFLTBHCGLH-SREVYHEPSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2-difluoroprop-1-enyl]pyrrolidine?
The IUPAC name of 1-[(E)-1,2-difluoroprop-1-enyl]pyrrolidine (CID 174357858) is 1-[(E)-1,2-difluoroprop-1-enyl]pyrrolidine.
What is the SMILES notation for 1-[(E)-1,2-difluoroprop-1-enyl]pyrrolidine?
The canonical SMILES for 1-[(E)-1,2-difluoroprop-1-enyl]pyrrolidine is C/C(F)=C(\F)N1CCCC1.
What is the InChIKey of 1-[(E)-1,2-difluoroprop-1-enyl]pyrrolidine?
The InChIKey is UVEJJFLTBHCGLH-SREVYHEPSA-N. The full InChI is InChI=1S/C7H11F2N/c1-6(8)7(9)10-4-2-3-5-10/h2-5H2,1H3/b7-6-.
What are the key properties of 1-[(E)-1,2-difluoroprop-1-enyl]pyrrolidine?
1-[(E)-1,2-difluoroprop-1-enyl]pyrrolidine has a molecular weight of 147.17 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2-difluoroprop-1-enyl]pyrrolidine is sourced from PubChem (CID 174357858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).