[(3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methanol

C7H13F2NO — CID 134249504

IUPAC[(3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CCN(CC(F)F)C1
InChIInChI=1S/C7H13F2NO/c8-7(9)4-10-2-1-6(3-10)5-11/h6-7,11H,1-5H2/t6-/m0/s1
InChIKeyHBJUMKGOIISMBX-LURJTMIESA-N
MW165.18 g/mol
LogP0.57
Rot. Bonds3

About [(3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methanol

[(3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methanol (PubChem CID 134249504) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is [(3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methanol
PubChem CID134249504
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name[(3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CCN(CC(F)F)C1
InChIInChI=1S/C7H13F2NO/c8-7(9)4-10-2-1-6(3-10)5-11/h6-7,11H,1-5H2/t6-/m0/s1
InChIKeyHBJUMKGOIISMBX-LURJTMIESA-N
XLogP0.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methanol 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 [(3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methanol (CID 134249504) is [(3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methanol is OC[C@H]1CCN(CC(F)F)C1.
What is the InChIKey of [(3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methanol?
The InChIKey is HBJUMKGOIISMBX-LURJTMIESA-N. The full InChI is InChI=1S/C7H13F2NO/c8-7(9)4-10-2-1-6(3-10)5-11/h6-7,11H,1-5H2/t6-/m0/s1.
What are the key properties of [(3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methanol?
[(3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methanol has a molecular weight of 165.18 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 134249504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).