2-[2,2-difluoroethyl(3-fluoropropyl)amino]ethanol

C7H14F3NO — CID 107485373

IUPAC2-[2,2-difluoroethyl(3-fluoropropyl)amino]ethanol
SMILESOCCN(CCCF)CC(F)F
InChIInChI=1S/C7H14F3NO/c8-2-1-3-11(4-5-12)6-7(9)10/h7,12H,1-6H2
InChIKeyXPSHUMONNJADDG-UHFFFAOYSA-N
MW185.19 g/mol
LogP0.91
Rot. Bonds7

About 2-[2,2-difluoroethyl(3-fluoropropyl)amino]ethanol

2-[2,2-difluoroethyl(3-fluoropropyl)amino]ethanol (PubChem CID 107485373) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(3-fluoropropyl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(3-fluoropropyl)amino]ethanol
PubChem CID107485373
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name2-[2,2-difluoroethyl(3-fluoropropyl)amino]ethanol
SMILESOCCN(CCCF)CC(F)F
InChIInChI=1S/C7H14F3NO/c8-2-1-3-11(4-5-12)6-7(9)10/h7,12H,1-6H2
InChIKeyXPSHUMONNJADDG-UHFFFAOYSA-N
XLogP0.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(3-fluoropropyl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl(3-fluoropropyl)amino]ethanol (CID 107485373) is 2-[2,2-difluoroethyl(3-fluoropropyl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl(3-fluoropropyl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl(3-fluoropropyl)amino]ethanol is OCCN(CCCF)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(3-fluoropropyl)amino]ethanol?
The InChIKey is XPSHUMONNJADDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c8-2-1-3-11(4-5-12)6-7(9)10/h7,12H,1-6H2.
What are the key properties of 2-[2,2-difluoroethyl(3-fluoropropyl)amino]ethanol?
2-[2,2-difluoroethyl(3-fluoropropyl)amino]ethanol has a molecular weight of 185.19 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(3-fluoropropyl)amino]ethanol is sourced from PubChem (CID 107485373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).