2-[2-cyclopropylethyl(2,2-difluoroethyl)amino]ethanol

C9H17F2NO — CID 107485229

IUPAC2-[2-cyclopropylethyl(2,2-difluoroethyl)amino]ethanol
SMILESOCCN(CCC1CC1)CC(F)F
InChIInChI=1S/C9H17F2NO/c10-9(11)7-12(5-6-13)4-3-8-1-2-8/h8-9,13H,1-7H2
InChIKeyXHWHALLHSIOLHY-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.35
Rot. Bonds7

About 2-[2-cyclopropylethyl(2,2-difluoroethyl)amino]ethanol

2-[2-cyclopropylethyl(2,2-difluoroethyl)amino]ethanol (PubChem CID 107485229) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 2-[2-cyclopropylethyl(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-cyclopropylethyl(2,2-difluoroethyl)amino]ethanol
PubChem CID107485229
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name2-[2-cyclopropylethyl(2,2-difluoroethyl)amino]ethanol
SMILESOCCN(CCC1CC1)CC(F)F
InChIInChI=1S/C9H17F2NO/c10-9(11)7-12(5-6-13)4-3-8-1-2-8/h8-9,13H,1-7H2
InChIKeyXHWHALLHSIOLHY-UHFFFAOYSA-N
XLogP1.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropylethyl(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[2-cyclopropylethyl(2,2-difluoroethyl)amino]ethanol (CID 107485229) is 2-[2-cyclopropylethyl(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[2-cyclopropylethyl(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[2-cyclopropylethyl(2,2-difluoroethyl)amino]ethanol is OCCN(CCC1CC1)CC(F)F.
What is the InChIKey of 2-[2-cyclopropylethyl(2,2-difluoroethyl)amino]ethanol?
The InChIKey is XHWHALLHSIOLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c10-9(11)7-12(5-6-13)4-3-8-1-2-8/h8-9,13H,1-7H2.
What are the key properties of 2-[2-cyclopropylethyl(2,2-difluoroethyl)amino]ethanol?
2-[2-cyclopropylethyl(2,2-difluoroethyl)amino]ethanol has a molecular weight of 193.24 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropylethyl(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107485229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).