1,1-difluoro-1-pyrrolidin-3-ylpropan-2-ol

C7H13F2NO — CID 105432622

IUPAC1,1-difluoro-1-pyrrolidin-3-ylpropan-2-ol
SMILESCC(O)C(F)(F)C1CCNC1
InChIInChI=1S/C7H13F2NO/c1-5(11)7(8,9)6-2-3-10-4-6/h5-6,10-11H,2-4H2,1H3
InChIKeyKZDIABWILVZNEM-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.61
Rot. Bonds2

About 1,1-difluoro-1-pyrrolidin-3-ylpropan-2-ol

1,1-difluoro-1-pyrrolidin-3-ylpropan-2-ol (PubChem CID 105432622) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 1,1-difluoro-1-pyrrolidin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-1-pyrrolidin-3-ylpropan-2-ol
PubChem CID105432622
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name1,1-difluoro-1-pyrrolidin-3-ylpropan-2-ol
SMILESCC(O)C(F)(F)C1CCNC1
InChIInChI=1S/C7H13F2NO/c1-5(11)7(8,9)6-2-3-10-4-6/h5-6,10-11H,2-4H2,1H3
InChIKeyKZDIABWILVZNEM-UHFFFAOYSA-N
XLogP0.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,1-difluoro-1-pyrrolidin-3-ylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-pyrrolidin-3-ylpropan-2-ol?
The IUPAC name of 1,1-difluoro-1-pyrrolidin-3-ylpropan-2-ol (CID 105432622) is 1,1-difluoro-1-pyrrolidin-3-ylpropan-2-ol.
What is the SMILES notation for 1,1-difluoro-1-pyrrolidin-3-ylpropan-2-ol?
The canonical SMILES for 1,1-difluoro-1-pyrrolidin-3-ylpropan-2-ol is CC(O)C(F)(F)C1CCNC1.
What is the InChIKey of 1,1-difluoro-1-pyrrolidin-3-ylpropan-2-ol?
The InChIKey is KZDIABWILVZNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-5(11)7(8,9)6-2-3-10-4-6/h5-6,10-11H,2-4H2,1H3.
What are the key properties of 1,1-difluoro-1-pyrrolidin-3-ylpropan-2-ol?
1,1-difluoro-1-pyrrolidin-3-ylpropan-2-ol has a molecular weight of 165.18 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-pyrrolidin-3-ylpropan-2-ol is sourced from PubChem (CID 105432622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).