(3E)-3-(fluoromethylidene)-1-methylpyrrolidine

C6H10FN — CID 172577303

IUPAC(3E)-3-(fluoromethylidene)-1-methylpyrrolidine
SMILESCN1CC/C(=C\F)C1
InChIInChI=1S/C6H10FN/c1-8-3-2-6(4-7)5-8/h4H,2-3,5H2,1H3/b6-4+
InChIKeyVISODMKMPVQEFL-GQCTYLIASA-N
MW115.15 g/mol
LogP1.18
Rot. Bonds

About (3E)-3-(fluoromethylidene)-1-methylpyrrolidine

(3E)-3-(fluoromethylidene)-1-methylpyrrolidine (PubChem CID 172577303) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is (3E)-3-(fluoromethylidene)-1-methylpyrrolidine.

Molecular Properties

Compound Name(3E)-3-(fluoromethylidene)-1-methylpyrrolidine
PubChem CID172577303
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name(3E)-3-(fluoromethylidene)-1-methylpyrrolidine
SMILESCN1CC/C(=C\F)C1
InChIInChI=1S/C6H10FN/c1-8-3-2-6(4-7)5-8/h4H,2-3,5H2,1H3/b6-4+
InChIKeyVISODMKMPVQEFL-GQCTYLIASA-N
XLogP1.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(fluoromethylidene)-1-methylpyrrolidine?
The IUPAC name of (3E)-3-(fluoromethylidene)-1-methylpyrrolidine (CID 172577303) is (3E)-3-(fluoromethylidene)-1-methylpyrrolidine.
What is the SMILES notation for (3E)-3-(fluoromethylidene)-1-methylpyrrolidine?
The canonical SMILES for (3E)-3-(fluoromethylidene)-1-methylpyrrolidine is CN1CC/C(=C\F)C1.
What is the InChIKey of (3E)-3-(fluoromethylidene)-1-methylpyrrolidine?
The InChIKey is VISODMKMPVQEFL-GQCTYLIASA-N. The full InChI is InChI=1S/C6H10FN/c1-8-3-2-6(4-7)5-8/h4H,2-3,5H2,1H3/b6-4+.
What are the key properties of (3E)-3-(fluoromethylidene)-1-methylpyrrolidine?
(3E)-3-(fluoromethylidene)-1-methylpyrrolidine has a molecular weight of 115.15 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(fluoromethylidene)-1-methylpyrrolidine is sourced from PubChem (CID 172577303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).