3,3-difluoro-1-methylpyrrolidine

C5H9F2N — CID 20775182

IUPAC3,3-difluoro-1-methylpyrrolidine
SMILESCN1CCC(F)(F)C1
InChIInChI=1S/C5H9F2N/c1-8-3-2-5(6,7)4-8/h2-4H2,1H3
InChIKeyHUSGIMGPSCQRKA-UHFFFAOYSA-N
MW121.13 g/mol
LogP0.96
Rot. Bonds

About 3,3-difluoro-1-methylpyrrolidine

3,3-difluoro-1-methylpyrrolidine (PubChem CID 20775182) has the molecular formula C5H9F2N and a molecular weight of 121.13 g/mol. Its IUPAC name is 3,3-difluoro-1-methylpyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-methylpyrrolidine
PubChem CID20775182
Molecular FormulaC5H9F2N
Molecular Weight121.13 g/mol
Exact Mass121.07
IUPAC Name3,3-difluoro-1-methylpyrrolidine
SMILESCN1CCC(F)(F)C1
InChIInChI=1S/C5H9F2N/c1-8-3-2-5(6,7)4-8/h2-4H2,1H3
InChIKeyHUSGIMGPSCQRKA-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-methylpyrrolidine?
The IUPAC name of 3,3-difluoro-1-methylpyrrolidine (CID 20775182) is 3,3-difluoro-1-methylpyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-methylpyrrolidine?
The canonical SMILES for 3,3-difluoro-1-methylpyrrolidine is CN1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-methylpyrrolidine?
The InChIKey is HUSGIMGPSCQRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N/c1-8-3-2-5(6,7)4-8/h2-4H2,1H3.
What are the key properties of 3,3-difluoro-1-methylpyrrolidine?
3,3-difluoro-1-methylpyrrolidine has a molecular weight of 121.13 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-methylpyrrolidine is sourced from PubChem (CID 20775182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).