2-(1,1-difluoroprop-2-enyl)-1-methylpyrrolidine

C8H13F2N — CID 143553468

IUPAC2-(1,1-difluoroprop-2-enyl)-1-methylpyrrolidine
SMILESC=CC(F)(F)C1CCCN1C
InChIInChI=1S/C8H13F2N/c1-3-8(9,10)7-5-4-6-11(7)2/h3,7H,1,4-6H2,2H3
InChIKeyROKWJTGRNCEVBG-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.90
Rot. Bonds2

About 2-(1,1-difluoroprop-2-enyl)-1-methylpyrrolidine

2-(1,1-difluoroprop-2-enyl)-1-methylpyrrolidine (PubChem CID 143553468) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 2-(1,1-difluoroprop-2-enyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name2-(1,1-difluoroprop-2-enyl)-1-methylpyrrolidine
PubChem CID143553468
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name2-(1,1-difluoroprop-2-enyl)-1-methylpyrrolidine
SMILESC=CC(F)(F)C1CCCN1C
InChIInChI=1S/C8H13F2N/c1-3-8(9,10)7-5-4-6-11(7)2/h3,7H,1,4-6H2,2H3
InChIKeyROKWJTGRNCEVBG-UHFFFAOYSA-N
XLogP1.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroprop-2-enyl)-1-methylpyrrolidine?
The IUPAC name of 2-(1,1-difluoroprop-2-enyl)-1-methylpyrrolidine (CID 143553468) is 2-(1,1-difluoroprop-2-enyl)-1-methylpyrrolidine.
What is the SMILES notation for 2-(1,1-difluoroprop-2-enyl)-1-methylpyrrolidine?
The canonical SMILES for 2-(1,1-difluoroprop-2-enyl)-1-methylpyrrolidine is C=CC(F)(F)C1CCCN1C.
What is the InChIKey of 2-(1,1-difluoroprop-2-enyl)-1-methylpyrrolidine?
The InChIKey is ROKWJTGRNCEVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-3-8(9,10)7-5-4-6-11(7)2/h3,7H,1,4-6H2,2H3.
What are the key properties of 2-(1,1-difluoroprop-2-enyl)-1-methylpyrrolidine?
2-(1,1-difluoroprop-2-enyl)-1-methylpyrrolidine has a molecular weight of 161.19 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroprop-2-enyl)-1-methylpyrrolidine is sourced from PubChem (CID 143553468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).