2-(3,3-difluoro-4-propan-2-ylpyrrolidin-1-yl)ethanol

C9H17F2NO — CID 163381002

IUPAC2-(3,3-difluoro-4-propan-2-ylpyrrolidin-1-yl)ethanol
SMILESCC(C)C1CN(CCO)CC1(F)F
InChIInChI=1S/C9H17F2NO/c1-7(2)8-5-12(3-4-13)6-9(8,10)11/h7-8,13H,3-6H2,1-2H3
InChIKeyPSJUXBHRHORRLV-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.20
Rot. Bonds3

About 2-(3,3-difluoro-4-propan-2-ylpyrrolidin-1-yl)ethanol

2-(3,3-difluoro-4-propan-2-ylpyrrolidin-1-yl)ethanol (PubChem CID 163381002) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 2-(3,3-difluoro-4-propan-2-ylpyrrolidin-1-yl)ethanol.

Molecular Properties

Compound Name2-(3,3-difluoro-4-propan-2-ylpyrrolidin-1-yl)ethanol
PubChem CID163381002
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name2-(3,3-difluoro-4-propan-2-ylpyrrolidin-1-yl)ethanol
SMILESCC(C)C1CN(CCO)CC1(F)F
InChIInChI=1S/C9H17F2NO/c1-7(2)8-5-12(3-4-13)6-9(8,10)11/h7-8,13H,3-6H2,1-2H3
InChIKeyPSJUXBHRHORRLV-UHFFFAOYSA-N
XLogP1.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoro-4-propan-2-ylpyrrolidin-1-yl)ethanol?
The IUPAC name of 2-(3,3-difluoro-4-propan-2-ylpyrrolidin-1-yl)ethanol (CID 163381002) is 2-(3,3-difluoro-4-propan-2-ylpyrrolidin-1-yl)ethanol.
What is the SMILES notation for 2-(3,3-difluoro-4-propan-2-ylpyrrolidin-1-yl)ethanol?
The canonical SMILES for 2-(3,3-difluoro-4-propan-2-ylpyrrolidin-1-yl)ethanol is CC(C)C1CN(CCO)CC1(F)F.
What is the InChIKey of 2-(3,3-difluoro-4-propan-2-ylpyrrolidin-1-yl)ethanol?
The InChIKey is PSJUXBHRHORRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7(2)8-5-12(3-4-13)6-9(8,10)11/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 2-(3,3-difluoro-4-propan-2-ylpyrrolidin-1-yl)ethanol?
2-(3,3-difluoro-4-propan-2-ylpyrrolidin-1-yl)ethanol has a molecular weight of 193.24 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoro-4-propan-2-ylpyrrolidin-1-yl)ethanol is sourced from PubChem (CID 163381002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).