(4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine

C7H12FN — CID 172577484

IUPAC(4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine
SMILESCC1C/C(=C\F)CN1C
InChIInChI=1S/C7H12FN/c1-6-3-7(4-8)5-9(6)2/h4,6H,3,5H2,1-2H3/b7-4+
InChIKeyLIGRLKRTLBTDPH-QPJJXVBHSA-N
MW129.18 g/mol
LogP1.56
Rot. Bonds

About (4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine

(4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine (PubChem CID 172577484) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine.

Molecular Properties

Compound Name(4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine
PubChem CID172577484
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine
SMILESCC1C/C(=C\F)CN1C
InChIInChI=1S/C7H12FN/c1-6-3-7(4-8)5-9(6)2/h4,6H,3,5H2,1-2H3/b7-4+
InChIKeyLIGRLKRTLBTDPH-QPJJXVBHSA-N
XLogP1.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine?
The IUPAC name of (4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine (CID 172577484) is (4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine.
What is the SMILES notation for (4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine?
The canonical SMILES for (4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine is CC1C/C(=C\F)CN1C.
What is the InChIKey of (4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine?
The InChIKey is LIGRLKRTLBTDPH-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H12FN/c1-6-3-7(4-8)5-9(6)2/h4,6H,3,5H2,1-2H3/b7-4+.
What are the key properties of (4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine?
(4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine has a molecular weight of 129.18 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine is sourced from PubChem (CID 172577484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).