3,4-difluoro-1-methylpyrrolidine

C5H9F2N — CID 58544164

IUPAC3,4-difluoro-1-methylpyrrolidine
SMILESCN1CC(F)C(F)C1
InChIInChI=1S/C5H9F2N/c1-8-2-4(6)5(7)3-8/h4-5H,2-3H2,1H3
InChIKeyJQXBAUYSYUPSER-UHFFFAOYSA-N
MW121.13 g/mol
LogP0.61
Rot. Bonds

About 3,4-difluoro-1-methylpyrrolidine

3,4-difluoro-1-methylpyrrolidine (PubChem CID 58544164) has the molecular formula C5H9F2N and a molecular weight of 121.13 g/mol. Its IUPAC name is 3,4-difluoro-1-methylpyrrolidine.

Molecular Properties

Compound Name3,4-difluoro-1-methylpyrrolidine
PubChem CID58544164
Molecular FormulaC5H9F2N
Molecular Weight121.13 g/mol
Exact Mass121.07
IUPAC Name3,4-difluoro-1-methylpyrrolidine
SMILESCN1CC(F)C(F)C1
InChIInChI=1S/C5H9F2N/c1-8-2-4(6)5(7)3-8/h4-5H,2-3H2,1H3
InChIKeyJQXBAUYSYUPSER-UHFFFAOYSA-N
XLogP0.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.13
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-1-methylpyrrolidine?
The IUPAC name of 3,4-difluoro-1-methylpyrrolidine (CID 58544164) is 3,4-difluoro-1-methylpyrrolidine.
What is the SMILES notation for 3,4-difluoro-1-methylpyrrolidine?
The canonical SMILES for 3,4-difluoro-1-methylpyrrolidine is CN1CC(F)C(F)C1.
What is the InChIKey of 3,4-difluoro-1-methylpyrrolidine?
The InChIKey is JQXBAUYSYUPSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N/c1-8-2-4(6)5(7)3-8/h4-5H,2-3H2,1H3.
What are the key properties of 3,4-difluoro-1-methylpyrrolidine?
3,4-difluoro-1-methylpyrrolidine has a molecular weight of 121.13 g/mol, XLogP of 0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-1-methylpyrrolidine is sourced from PubChem (CID 58544164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).