3,3-difluoro-1-(1-methylpyrrolidin-3-yl)propan-1-ol

C8H15F2NO — CID 143016289

IUPAC3,3-difluoro-1-(1-methylpyrrolidin-3-yl)propan-1-ol
SMILESCN1CCC(C(O)CC(F)F)C1
InChIInChI=1S/C8H15F2NO/c1-11-3-2-6(5-11)7(12)4-8(9)10/h6-8,12H,2-5H2,1H3
InChIKeyXAKNDYHCZNNHSQ-UHFFFAOYSA-N
MW179.21 g/mol
LogP0.95
Rot. Bonds3

About 3,3-difluoro-1-(1-methylpyrrolidin-3-yl)propan-1-ol

3,3-difluoro-1-(1-methylpyrrolidin-3-yl)propan-1-ol (PubChem CID 143016289) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 3,3-difluoro-1-(1-methylpyrrolidin-3-yl)propan-1-ol.

Molecular Properties

Compound Name3,3-difluoro-1-(1-methylpyrrolidin-3-yl)propan-1-ol
PubChem CID143016289
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name3,3-difluoro-1-(1-methylpyrrolidin-3-yl)propan-1-ol
SMILESCN1CCC(C(O)CC(F)F)C1
InChIInChI=1S/C8H15F2NO/c1-11-3-2-6(5-11)7(12)4-8(9)10/h6-8,12H,2-5H2,1H3
InChIKeyXAKNDYHCZNNHSQ-UHFFFAOYSA-N
XLogP0.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-difluoro-1-(1-methylpyrrolidin-3-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 3,3-difluoro-1-(1-methylpyrrolidin-3-yl)propan-1-ol?
The IUPAC name of 3,3-difluoro-1-(1-methylpyrrolidin-3-yl)propan-1-ol (CID 143016289) is 3,3-difluoro-1-(1-methylpyrrolidin-3-yl)propan-1-ol.
What is the SMILES notation for 3,3-difluoro-1-(1-methylpyrrolidin-3-yl)propan-1-ol?
The canonical SMILES for 3,3-difluoro-1-(1-methylpyrrolidin-3-yl)propan-1-ol is CN1CCC(C(O)CC(F)F)C1.
What is the InChIKey of 3,3-difluoro-1-(1-methylpyrrolidin-3-yl)propan-1-ol?
The InChIKey is XAKNDYHCZNNHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-11-3-2-6(5-11)7(12)4-8(9)10/h6-8,12H,2-5H2,1H3.
What are the key properties of 3,3-difluoro-1-(1-methylpyrrolidin-3-yl)propan-1-ol?
3,3-difluoro-1-(1-methylpyrrolidin-3-yl)propan-1-ol has a molecular weight of 179.21 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(1-methylpyrrolidin-3-yl)propan-1-ol is sourced from PubChem (CID 143016289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).