3,3-difluoro-4-propan-2-ylpyrrolidine

C7H13F2N — CID 58945005

IUPAC3,3-difluoro-4-propan-2-ylpyrrolidine
SMILESCC(C)C1CNCC1(F)F
InChIInChI=1S/C7H13F2N/c1-5(2)6-3-10-4-7(6,8)9/h5-6,10H,3-4H2,1-2H3
InChIKeyXFSOILXXOUDQIQ-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.50
Rot. Bonds1

About 3,3-difluoro-4-propan-2-ylpyrrolidine

3,3-difluoro-4-propan-2-ylpyrrolidine (PubChem CID 58945005) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is 3,3-difluoro-4-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-4-propan-2-ylpyrrolidine
PubChem CID58945005
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name3,3-difluoro-4-propan-2-ylpyrrolidine
SMILESCC(C)C1CNCC1(F)F
InChIInChI=1S/C7H13F2N/c1-5(2)6-3-10-4-7(6,8)9/h5-6,10H,3-4H2,1-2H3
InChIKeyXFSOILXXOUDQIQ-UHFFFAOYSA-N
XLogP1.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-propan-2-ylpyrrolidine?
The IUPAC name of 3,3-difluoro-4-propan-2-ylpyrrolidine (CID 58945005) is 3,3-difluoro-4-propan-2-ylpyrrolidine.
What is the SMILES notation for 3,3-difluoro-4-propan-2-ylpyrrolidine?
The canonical SMILES for 3,3-difluoro-4-propan-2-ylpyrrolidine is CC(C)C1CNCC1(F)F.
What is the InChIKey of 3,3-difluoro-4-propan-2-ylpyrrolidine?
The InChIKey is XFSOILXXOUDQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N/c1-5(2)6-3-10-4-7(6,8)9/h5-6,10H,3-4H2,1-2H3.
What are the key properties of 3,3-difluoro-4-propan-2-ylpyrrolidine?
3,3-difluoro-4-propan-2-ylpyrrolidine has a molecular weight of 149.18 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-propan-2-ylpyrrolidine is sourced from PubChem (CID 58945005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).