2-(2,2-difluoroethylamino)-2-(oxolan-2-yl)ethanol

C8H15F2NO2 — CID 169181846

IUPAC2-(2,2-difluoroethylamino)-2-(oxolan-2-yl)ethanol
SMILESOCC(NCC(F)F)C1CCCO1
InChIInChI=1S/C8H15F2NO2/c9-8(10)4-11-6(5-12)7-2-1-3-13-7/h6-8,11-12H,1-5H2
InChIKeyQSJJSWAPZSIZRP-UHFFFAOYSA-N
MW195.21 g/mol
LogP0.38
Rot. Bonds5

About 2-(2,2-difluoroethylamino)-2-(oxolan-2-yl)ethanol

2-(2,2-difluoroethylamino)-2-(oxolan-2-yl)ethanol (PubChem CID 169181846) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is 2-(2,2-difluoroethylamino)-2-(oxolan-2-yl)ethanol.

Molecular Properties

Compound Name2-(2,2-difluoroethylamino)-2-(oxolan-2-yl)ethanol
PubChem CID169181846
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name2-(2,2-difluoroethylamino)-2-(oxolan-2-yl)ethanol
SMILESOCC(NCC(F)F)C1CCCO1
InChIInChI=1S/C8H15F2NO2/c9-8(10)4-11-6(5-12)7-2-1-3-13-7/h6-8,11-12H,1-5H2
InChIKeyQSJJSWAPZSIZRP-UHFFFAOYSA-N
XLogP0.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylamino)-2-(oxolan-2-yl)ethanol?
The IUPAC name of 2-(2,2-difluoroethylamino)-2-(oxolan-2-yl)ethanol (CID 169181846) is 2-(2,2-difluoroethylamino)-2-(oxolan-2-yl)ethanol.
What is the SMILES notation for 2-(2,2-difluoroethylamino)-2-(oxolan-2-yl)ethanol?
The canonical SMILES for 2-(2,2-difluoroethylamino)-2-(oxolan-2-yl)ethanol is OCC(NCC(F)F)C1CCCO1.
What is the InChIKey of 2-(2,2-difluoroethylamino)-2-(oxolan-2-yl)ethanol?
The InChIKey is QSJJSWAPZSIZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c9-8(10)4-11-6(5-12)7-2-1-3-13-7/h6-8,11-12H,1-5H2.
What are the key properties of 2-(2,2-difluoroethylamino)-2-(oxolan-2-yl)ethanol?
2-(2,2-difluoroethylamino)-2-(oxolan-2-yl)ethanol has a molecular weight of 195.21 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylamino)-2-(oxolan-2-yl)ethanol is sourced from PubChem (CID 169181846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).