4-(difluoromethylidene)-2-ethenylpyrrolidine

C7H9F2N — CID 126638465

IUPAC4-(difluoromethylidene)-2-ethenylpyrrolidine
SMILESC=CC1CC(=C(F)F)CN1
InChIInChI=1S/C7H9F2N/c1-2-6-3-5(4-10-6)7(8)9/h2,6,10H,1,3-4H2
InChIKeyFQSWQPZJNAQNEV-UHFFFAOYSA-N
MW145.15 g/mol
LogP1.68
Rot. Bonds1

About 4-(difluoromethylidene)-2-ethenylpyrrolidine

4-(difluoromethylidene)-2-ethenylpyrrolidine (PubChem CID 126638465) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is 4-(difluoromethylidene)-2-ethenylpyrrolidine.

Molecular Properties

Compound Name4-(difluoromethylidene)-2-ethenylpyrrolidine
PubChem CID126638465
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name4-(difluoromethylidene)-2-ethenylpyrrolidine
SMILESC=CC1CC(=C(F)F)CN1
InChIInChI=1S/C7H9F2N/c1-2-6-3-5(4-10-6)7(8)9/h2,6,10H,1,3-4H2
InChIKeyFQSWQPZJNAQNEV-UHFFFAOYSA-N
XLogP1.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.15
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Ethenylpyrrolidine hydrochloride
CID 23128270
2-Ethenyl-pyrrolidine
CID 18521191
(s)-2-Vinylpyrrolidine
CID 15306667
4-(Difluoromethylidene)-2-prop-1-en-2-ylpyrrolidine
CID 126653747
4-Allyl-3,3-difluoropyrrolidine
CID 130916482
(2R)-2-ethenyl-4-fluoro-4-methylpyrrolidine
CID 135265939
2-[(Z)-2-fluoroethenyl]pyrrolidine
CID 140731929
Ethane;2-ethenyl-4,4-difluoropyrrolidine
CID 142393652
(2R,4R)-2-ethenyl-4-fluoropyrrolidine
CID 174318587
(2S)-2-(1-fluoroethenyl)pyrrolidine
CID 15284829
2-(1-Fluoroethenyl)pyrrolidine
CID 73190909
2-(1-Fluoroprop-2-enyl)pyrrolidine
CID 106640300

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylidene)-2-ethenylpyrrolidine?
The IUPAC name of 4-(difluoromethylidene)-2-ethenylpyrrolidine (CID 126638465) is 4-(difluoromethylidene)-2-ethenylpyrrolidine.
What is the SMILES notation for 4-(difluoromethylidene)-2-ethenylpyrrolidine?
The canonical SMILES for 4-(difluoromethylidene)-2-ethenylpyrrolidine is C=CC1CC(=C(F)F)CN1.
What is the InChIKey of 4-(difluoromethylidene)-2-ethenylpyrrolidine?
The InChIKey is FQSWQPZJNAQNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N/c1-2-6-3-5(4-10-6)7(8)9/h2,6,10H,1,3-4H2.
What are the key properties of 4-(difluoromethylidene)-2-ethenylpyrrolidine?
4-(difluoromethylidene)-2-ethenylpyrrolidine has a molecular weight of 145.15 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylidene)-2-ethenylpyrrolidine is sourced from PubChem (CID 126638465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).