4-(difluoromethylidene)-2-prop-1-en-2-ylpyrrolidine

C8H11F2N — CID 126653747

IUPAC4-(difluoromethylidene)-2-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)C1CC(=C(F)F)CN1
InChIInChI=1S/C8H11F2N/c1-5(2)7-3-6(4-11-7)8(9)10/h7,11H,1,3-4H2,2H3
InChIKeyUXQMUFBOSOBQGO-UHFFFAOYSA-N
MW159.18 g/mol
LogP2.08
Rot. Bonds1

About 4-(difluoromethylidene)-2-prop-1-en-2-ylpyrrolidine

4-(difluoromethylidene)-2-prop-1-en-2-ylpyrrolidine (PubChem CID 126653747) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is 4-(difluoromethylidene)-2-prop-1-en-2-ylpyrrolidine.

Molecular Properties

Compound Name4-(difluoromethylidene)-2-prop-1-en-2-ylpyrrolidine
PubChem CID126653747
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name4-(difluoromethylidene)-2-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)C1CC(=C(F)F)CN1
InChIInChI=1S/C8H11F2N/c1-5(2)7-3-6(4-11-7)8(9)10/h7,11H,1,3-4H2,2H3
InChIKeyUXQMUFBOSOBQGO-UHFFFAOYSA-N
XLogP2.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 52.08
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

6,6-difluoro-N,5-dimethyl-2-methylidenehex-5-en-1-amine
CID 58962877
4-(Difluoromethylidene)-2-ethenylpyrrolidine
CID 126638465
(2R)-2-[(3E,5E)-3,6-difluorohepta-1,3,5-trien-2-yl]pyrrolidine
CID 129150659
(2R)-2-[(3Z,5E)-5-(trifluoromethyl)hepta-1,3,5-trien-2-yl]pyrrolidine
CID 132133326
(2R,4S)-2-[(3Z,5Z)-3,4-difluorohepta-1,3,5-trien-2-yl]-4-fluoropyrrolidine
CID 138701471
(2R,4S)-2-[(3E,5E)-3,6-difluorohepta-1,3,5-trien-2-yl]-4-fluoropyrrolidine
CID 138701557
Ethane;2-ethenyl-4,4-difluoropyrrolidine
CID 142393652
2-[(2E,4Z)-7,7-difluoro-6-methylideneocta-2,4-dien-3-yl]pyrrolidine
CID 145011973
2-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]pyrrolidine
CID 145110985
3,3-Difluoro-2-methyl-2-prop-1-en-2-ylpyrrolidine
CID 147394218
1,1-difluoro-N-[[(5S)-1-methyl-5-prop-1-en-2-ylpyrrolidin-3-yl]methyl]methanamine
CID 147703077
(4Z)-2-ethyl-4-(fluoromethylidene)-2-methylpyrrolidine
CID 169184022

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylidene)-2-prop-1-en-2-ylpyrrolidine?
The IUPAC name of 4-(difluoromethylidene)-2-prop-1-en-2-ylpyrrolidine (CID 126653747) is 4-(difluoromethylidene)-2-prop-1-en-2-ylpyrrolidine.
What is the SMILES notation for 4-(difluoromethylidene)-2-prop-1-en-2-ylpyrrolidine?
The canonical SMILES for 4-(difluoromethylidene)-2-prop-1-en-2-ylpyrrolidine is C=C(C)C1CC(=C(F)F)CN1.
What is the InChIKey of 4-(difluoromethylidene)-2-prop-1-en-2-ylpyrrolidine?
The InChIKey is UXQMUFBOSOBQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N/c1-5(2)7-3-6(4-11-7)8(9)10/h7,11H,1,3-4H2,2H3.
What are the key properties of 4-(difluoromethylidene)-2-prop-1-en-2-ylpyrrolidine?
4-(difluoromethylidene)-2-prop-1-en-2-ylpyrrolidine has a molecular weight of 159.18 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylidene)-2-prop-1-en-2-ylpyrrolidine is sourced from PubChem (CID 126653747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).