2,2-difluoro-1,3,3-trimethylpyrrolidine

C7H13F2N — CID 10329427

IUPAC2,2-difluoro-1,3,3-trimethylpyrrolidine
SMILESCN1CCC(C)(C)C1(F)F
InChIInChI=1S/C7H13F2N/c1-6(2)4-5-10(3)7(6,8)9/h4-5H2,1-3H3
InChIKeyBZSBPSOVPACROP-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.94
Rot. Bonds

About 2,2-difluoro-1,3,3-trimethylpyrrolidine

2,2-difluoro-1,3,3-trimethylpyrrolidine (PubChem CID 10329427) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is 2,2-difluoro-1,3,3-trimethylpyrrolidine.

Molecular Properties

Compound Name2,2-difluoro-1,3,3-trimethylpyrrolidine
PubChem CID10329427
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name2,2-difluoro-1,3,3-trimethylpyrrolidine
SMILESCN1CCC(C)(C)C1(F)F
InChIInChI=1S/C7H13F2N/c1-6(2)4-5-10(3)7(6,8)9/h4-5H2,1-3H3
InChIKeyBZSBPSOVPACROP-UHFFFAOYSA-N
XLogP1.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.94
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-1,3,3-trimethylpyrrolidine?
The IUPAC name of 2,2-difluoro-1,3,3-trimethylpyrrolidine (CID 10329427) is 2,2-difluoro-1,3,3-trimethylpyrrolidine.
What is the SMILES notation for 2,2-difluoro-1,3,3-trimethylpyrrolidine?
The canonical SMILES for 2,2-difluoro-1,3,3-trimethylpyrrolidine is CN1CCC(C)(C)C1(F)F.
What is the InChIKey of 2,2-difluoro-1,3,3-trimethylpyrrolidine?
The InChIKey is BZSBPSOVPACROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N/c1-6(2)4-5-10(3)7(6,8)9/h4-5H2,1-3H3.
What are the key properties of 2,2-difluoro-1,3,3-trimethylpyrrolidine?
2,2-difluoro-1,3,3-trimethylpyrrolidine has a molecular weight of 149.18 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1,3,3-trimethylpyrrolidine is sourced from PubChem (CID 10329427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).