(4Z)-2-ethenyl-4-(fluoromethylidene)-1-methylpyrrolidine

C8H12FN — CID 126637121

IUPAC(4Z)-2-ethenyl-4-(fluoromethylidene)-1-methylpyrrolidine
SMILESC=CC1C/C(=C/F)CN1C
InChIInChI=1S/C8H12FN/c1-3-8-4-7(5-9)6-10(8)2/h3,5,8H,1,4,6H2,2H3/b7-5-
InChIKeyBFEYZODXSPEJPD-ALCCZGGFSA-N
MW141.19 g/mol
LogP1.73
Rot. Bonds1

About (4Z)-2-ethenyl-4-(fluoromethylidene)-1-methylpyrrolidine

(4Z)-2-ethenyl-4-(fluoromethylidene)-1-methylpyrrolidine (PubChem CID 126637121) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (4Z)-2-ethenyl-4-(fluoromethylidene)-1-methylpyrrolidine.

Molecular Properties

Compound Name(4Z)-2-ethenyl-4-(fluoromethylidene)-1-methylpyrrolidine
PubChem CID126637121
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(4Z)-2-ethenyl-4-(fluoromethylidene)-1-methylpyrrolidine
SMILESC=CC1C/C(=C/F)CN1C
InChIInChI=1S/C8H12FN/c1-3-8-4-7(5-9)6-10(8)2/h3,5,8H,1,4,6H2,2H3/b7-5-
InChIKeyBFEYZODXSPEJPD-ALCCZGGFSA-N
XLogP1.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.73
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 (4Z)-2-ethenyl-4-(fluoromethylidene)-1-methylpyrrolidine?
The IUPAC name of (4Z)-2-ethenyl-4-(fluoromethylidene)-1-methylpyrrolidine (CID 126637121) is (4Z)-2-ethenyl-4-(fluoromethylidene)-1-methylpyrrolidine.
What is the SMILES notation for (4Z)-2-ethenyl-4-(fluoromethylidene)-1-methylpyrrolidine?
The canonical SMILES for (4Z)-2-ethenyl-4-(fluoromethylidene)-1-methylpyrrolidine is C=CC1C/C(=C/F)CN1C.
What is the InChIKey of (4Z)-2-ethenyl-4-(fluoromethylidene)-1-methylpyrrolidine?
The InChIKey is BFEYZODXSPEJPD-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H12FN/c1-3-8-4-7(5-9)6-10(8)2/h3,5,8H,1,4,6H2,2H3/b7-5-.
What are the key properties of (4Z)-2-ethenyl-4-(fluoromethylidene)-1-methylpyrrolidine?
(4Z)-2-ethenyl-4-(fluoromethylidene)-1-methylpyrrolidine has a molecular weight of 141.19 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-ethenyl-4-(fluoromethylidene)-1-methylpyrrolidine is sourced from PubChem (CID 126637121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).