1-(2,2-difluoroethyl)pyrrolidine-3,4-diol

C6H11F2NO2 — CID 106672206

IUPAC1-(2,2-difluoroethyl)pyrrolidine-3,4-diol
SMILESOC1CN(CC(F)F)CC1O
InChIInChI=1S/C6H11F2NO2/c7-6(8)3-9-1-4(10)5(11)2-9/h4-6,10-11H,1-3H2
InChIKeyVCHJFTHAYVVEPI-UHFFFAOYSA-N
MW167.15 g/mol
LogP-0.71
Rot. Bonds2

About 1-(2,2-difluoroethyl)pyrrolidine-3,4-diol

1-(2,2-difluoroethyl)pyrrolidine-3,4-diol (PubChem CID 106672206) has the molecular formula C6H11F2NO2 and a molecular weight of 167.15 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)pyrrolidine-3,4-diol
PubChem CID106672206
Molecular FormulaC6H11F2NO2
Molecular Weight167.15 g/mol
Exact Mass167.08
IUPAC Name1-(2,2-difluoroethyl)pyrrolidine-3,4-diol
SMILESOC1CN(CC(F)F)CC1O
InChIInChI=1S/C6H11F2NO2/c7-6(8)3-9-1-4(10)5(11)2-9/h4-6,10-11H,1-3H2
InChIKeyVCHJFTHAYVVEPI-UHFFFAOYSA-N
XLogP-0.71
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.15
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-difluoroethyl)pyrrolidine-3,4-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 1-(2,2-difluoroethyl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(2,2-difluoroethyl)pyrrolidine-3,4-diol (CID 106672206) is 1-(2,2-difluoroethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(2,2-difluoroethyl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(2,2-difluoroethyl)pyrrolidine-3,4-diol is OC1CN(CC(F)F)CC1O.
What is the InChIKey of 1-(2,2-difluoroethyl)pyrrolidine-3,4-diol?
The InChIKey is VCHJFTHAYVVEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2/c7-6(8)3-9-1-4(10)5(11)2-9/h4-6,10-11H,1-3H2.
What are the key properties of 1-(2,2-difluoroethyl)pyrrolidine-3,4-diol?
1-(2,2-difluoroethyl)pyrrolidine-3,4-diol has a molecular weight of 167.15 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106672206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).