4,4-difluoro-2-propylpyrrolidine;formic acid

C8H15F2NO2 — CID 144847257

IUPAC4,4-difluoro-2-propylpyrrolidine;formic acid
SMILESCCCC1CC(F)(F)CN1.O=CO
InChIInChI=1S/C7H13F2N.CH2O2/c1-2-3-6-4-7(8,9)5-10-6;2-1-3/h6,10H,2-5H2,1H3;1H,(H,2,3)
InChIKeyXEQWXNVNDWSBNQ-UHFFFAOYSA-N
MW195.21 g/mol
LogP1.48
Rot. Bonds2

About 4,4-difluoro-2-propylpyrrolidine;formic acid

4,4-difluoro-2-propylpyrrolidine;formic acid (PubChem CID 144847257) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is 4,4-difluoro-2-propylpyrrolidine;formic acid.

Molecular Properties

Compound Name4,4-difluoro-2-propylpyrrolidine;formic acid
PubChem CID144847257
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name4,4-difluoro-2-propylpyrrolidine;formic acid
SMILESCCCC1CC(F)(F)CN1.O=CO
InChIInChI=1S/C7H13F2N.CH2O2/c1-2-3-6-4-7(8,9)5-10-6;2-1-3/h6,10H,2-5H2,1H3;1H,(H,2,3)
InChIKeyXEQWXNVNDWSBNQ-UHFFFAOYSA-N
XLogP1.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-propylpyrrolidine;formic acid?
The IUPAC name of 4,4-difluoro-2-propylpyrrolidine;formic acid (CID 144847257) is 4,4-difluoro-2-propylpyrrolidine;formic acid.
What is the SMILES notation for 4,4-difluoro-2-propylpyrrolidine;formic acid?
The canonical SMILES for 4,4-difluoro-2-propylpyrrolidine;formic acid is CCCC1CC(F)(F)CN1.O=CO.
What is the InChIKey of 4,4-difluoro-2-propylpyrrolidine;formic acid?
The InChIKey is XEQWXNVNDWSBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N.CH2O2/c1-2-3-6-4-7(8,9)5-10-6;2-1-3/h6,10H,2-5H2,1H3;1H,(H,2,3).
What are the key properties of 4,4-difluoro-2-propylpyrrolidine;formic acid?
4,4-difluoro-2-propylpyrrolidine;formic acid has a molecular weight of 195.21 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-propylpyrrolidine;formic acid is sourced from PubChem (CID 144847257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).