3,3-difluoro-1-propylpyrrolidine

C7H13F2N — CID 59295114

IUPAC3,3-difluoro-1-propylpyrrolidine
SMILESCCCN1CCC(F)(F)C1
InChIInChI=1S/C7H13F2N/c1-2-4-10-5-3-7(8,9)6-10/h2-6H2,1H3
InChIKeySRSVVHCIEQFPOD-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.74
Rot. Bonds2

About 3,3-difluoro-1-propylpyrrolidine

3,3-difluoro-1-propylpyrrolidine (PubChem CID 59295114) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is 3,3-difluoro-1-propylpyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-propylpyrrolidine
PubChem CID59295114
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name3,3-difluoro-1-propylpyrrolidine
SMILESCCCN1CCC(F)(F)C1
InChIInChI=1S/C7H13F2N/c1-2-4-10-5-3-7(8,9)6-10/h2-6H2,1H3
InChIKeySRSVVHCIEQFPOD-UHFFFAOYSA-N
XLogP1.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.74
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-propylpyrrolidine?
The IUPAC name of 3,3-difluoro-1-propylpyrrolidine (CID 59295114) is 3,3-difluoro-1-propylpyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-propylpyrrolidine?
The canonical SMILES for 3,3-difluoro-1-propylpyrrolidine is CCCN1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-propylpyrrolidine?
The InChIKey is SRSVVHCIEQFPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N/c1-2-4-10-5-3-7(8,9)6-10/h2-6H2,1H3.
What are the key properties of 3,3-difluoro-1-propylpyrrolidine?
3,3-difluoro-1-propylpyrrolidine has a molecular weight of 149.18 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-propylpyrrolidine is sourced from PubChem (CID 59295114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).