2,2-difluoro-1-methylpyrrolidine

C5H9F2N — CID 59189583

IUPAC2,2-difluoro-1-methylpyrrolidine
SMILESCN1CCCC1(F)F
InChIInChI=1S/C5H9F2N/c1-8-4-2-3-5(8,6)7/h2-4H2,1H3
InChIKeyHERYDAYTRWKYHW-UHFFFAOYSA-N
MW121.13 g/mol
LogP1.30
Rot. Bonds

About 2,2-difluoro-1-methylpyrrolidine

2,2-difluoro-1-methylpyrrolidine (PubChem CID 59189583) has the molecular formula C5H9F2N and a molecular weight of 121.13 g/mol. Its IUPAC name is 2,2-difluoro-1-methylpyrrolidine.

Molecular Properties

Compound Name2,2-difluoro-1-methylpyrrolidine
PubChem CID59189583
Molecular FormulaC5H9F2N
Molecular Weight121.13 g/mol
Exact Mass121.07
IUPAC Name2,2-difluoro-1-methylpyrrolidine
SMILESCN1CCCC1(F)F
InChIInChI=1S/C5H9F2N/c1-8-4-2-3-5(8,6)7/h2-4H2,1H3
InChIKeyHERYDAYTRWKYHW-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-methylpyrrolidine?
The IUPAC name of 2,2-difluoro-1-methylpyrrolidine (CID 59189583) is 2,2-difluoro-1-methylpyrrolidine.
What is the SMILES notation for 2,2-difluoro-1-methylpyrrolidine?
The canonical SMILES for 2,2-difluoro-1-methylpyrrolidine is CN1CCCC1(F)F.
What is the InChIKey of 2,2-difluoro-1-methylpyrrolidine?
The InChIKey is HERYDAYTRWKYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N/c1-8-4-2-3-5(8,6)7/h2-4H2,1H3.
What are the key properties of 2,2-difluoro-1-methylpyrrolidine?
2,2-difluoro-1-methylpyrrolidine has a molecular weight of 121.13 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-methylpyrrolidine is sourced from PubChem (CID 59189583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).