3-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]propan-1-ol

C9H17F2NO — CID 62467257

IUPAC3-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CC(F)F
InChIInChI=1S/C9H17F2NO/c10-9(11)7-12-5-1-3-8(12)4-2-6-13/h8-9,13H,1-7H2
InChIKeyKNKIZYJQCWJHIV-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.49
Rot. Bonds5

About 3-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]propan-1-ol

3-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 62467257) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 3-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID62467257
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name3-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CC(F)F
InChIInChI=1S/C9H17F2NO/c10-9(11)7-12-5-1-3-8(12)4-2-6-13/h8-9,13H,1-7H2
InChIKeyKNKIZYJQCWJHIV-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]propan-1-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 3-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]propan-1-ol (CID 62467257) is 3-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1CC(F)F.
What is the InChIKey of 3-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is KNKIZYJQCWJHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c10-9(11)7-12-5-1-3-8(12)4-2-6-13/h8-9,13H,1-7H2.
What are the key properties of 3-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 193.24 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62467257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).