2,2-difluoro-1-pyrrolidin-3-ylpropane-1,3-diol

C7H13F2NO2 — CID 143016296

IUPAC2,2-difluoro-1-pyrrolidin-3-ylpropane-1,3-diol
SMILESOCC(F)(F)C(O)C1CCNC1
InChIInChI=1S/C7H13F2NO2/c8-7(9,4-11)6(12)5-1-2-10-3-5/h5-6,10-12H,1-4H2
InChIKeyFTNXSISVHGCYBV-UHFFFAOYSA-N
MW181.18 g/mol
LogP-0.42
Rot. Bonds3

About 2,2-difluoro-1-pyrrolidin-3-ylpropane-1,3-diol

2,2-difluoro-1-pyrrolidin-3-ylpropane-1,3-diol (PubChem CID 143016296) has the molecular formula C7H13F2NO2 and a molecular weight of 181.18 g/mol. Its IUPAC name is 2,2-difluoro-1-pyrrolidin-3-ylpropane-1,3-diol.

Molecular Properties

Compound Name2,2-difluoro-1-pyrrolidin-3-ylpropane-1,3-diol
PubChem CID143016296
Molecular FormulaC7H13F2NO2
Molecular Weight181.18 g/mol
Exact Mass181.09
IUPAC Name2,2-difluoro-1-pyrrolidin-3-ylpropane-1,3-diol
SMILESOCC(F)(F)C(O)C1CCNC1
InChIInChI=1S/C7H13F2NO2/c8-7(9,4-11)6(12)5-1-2-10-3-5/h5-6,10-12H,1-4H2
InChIKeyFTNXSISVHGCYBV-UHFFFAOYSA-N
XLogP-0.42
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,2-difluoro-1-pyrrolidin-3-ylpropane-1,3-diol 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 2,2-difluoro-1-pyrrolidin-3-ylpropane-1,3-diol?
The IUPAC name of 2,2-difluoro-1-pyrrolidin-3-ylpropane-1,3-diol (CID 143016296) is 2,2-difluoro-1-pyrrolidin-3-ylpropane-1,3-diol.
What is the SMILES notation for 2,2-difluoro-1-pyrrolidin-3-ylpropane-1,3-diol?
The canonical SMILES for 2,2-difluoro-1-pyrrolidin-3-ylpropane-1,3-diol is OCC(F)(F)C(O)C1CCNC1.
What is the InChIKey of 2,2-difluoro-1-pyrrolidin-3-ylpropane-1,3-diol?
The InChIKey is FTNXSISVHGCYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2/c8-7(9,4-11)6(12)5-1-2-10-3-5/h5-6,10-12H,1-4H2.
What are the key properties of 2,2-difluoro-1-pyrrolidin-3-ylpropane-1,3-diol?
2,2-difluoro-1-pyrrolidin-3-ylpropane-1,3-diol has a molecular weight of 181.18 g/mol, XLogP of -0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-pyrrolidin-3-ylpropane-1,3-diol is sourced from PubChem (CID 143016296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).