2-[2,2-difluoroethyl-[2-(trifluoromethoxy)ethyl]amino]ethanol

C7H12F5NO2 — CID 107485527

IUPAC2-[2,2-difluoroethyl-[2-(trifluoromethoxy)ethyl]amino]ethanol
SMILESOCCN(CCOC(F)(F)F)CC(F)F
InChIInChI=1S/C7H12F5NO2/c8-6(9)5-13(1-3-14)2-4-15-7(10,11)12/h6,14H,1-5H2
InChIKeyKJBHRSFPVLGWQO-UHFFFAOYSA-N
MW237.17 g/mol
LogP1.08
Rot. Bonds7

About 2-[2,2-difluoroethyl-[2-(trifluoromethoxy)ethyl]amino]ethanol

2-[2,2-difluoroethyl-[2-(trifluoromethoxy)ethyl]amino]ethanol (PubChem CID 107485527) has the molecular formula C7H12F5NO2 and a molecular weight of 237.17 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[2-(trifluoromethoxy)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[2-(trifluoromethoxy)ethyl]amino]ethanol
PubChem CID107485527
Molecular FormulaC7H12F5NO2
Molecular Weight237.17 g/mol
Exact Mass237.08
IUPAC Name2-[2,2-difluoroethyl-[2-(trifluoromethoxy)ethyl]amino]ethanol
SMILESOCCN(CCOC(F)(F)F)CC(F)F
InChIInChI=1S/C7H12F5NO2/c8-6(9)5-13(1-3-14)2-4-15-7(10,11)12/h6,14H,1-5H2
InChIKeyKJBHRSFPVLGWQO-UHFFFAOYSA-N
XLogP1.08
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.17
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,2-difluoroethyl-[2-(2-sulfanylethoxy)ethyl]amino]ethanol
CID 107494993
2-[2,2-difluoroethyl-[2-(3-methylbutoxy)ethyl]amino]ethanol
CID 107484971
4-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethoxy]benzoic acid
CID 107480835
2-[(3-amino-4,4-dimethylpentyl)-(2,2-difluoroethyl)amino]ethanol
CID 107486683
2-[2,2-difluoroethyl-[2-(2-ethoxyphenoxy)ethyl]amino]ethanol
CID 107485528
N'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100280
4-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide
CID 107493128
2-[2,2-difluoroethyl(2-methylprop-2-enyl)amino]ethanol
CID 107485262
1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol
CID 107483861
2-[(3-amino-2,2-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol
CID 107486587
2-[2,2-difluoroethyl-(2-methyl-3-sulfanylpropyl)amino]ethanol
CID 107494982
butyl 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetate
CID 107480814

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[2-(trifluoromethoxy)ethyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[2-(trifluoromethoxy)ethyl]amino]ethanol (CID 107485527) is 2-[2,2-difluoroethyl-[2-(trifluoromethoxy)ethyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[2-(trifluoromethoxy)ethyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[2-(trifluoromethoxy)ethyl]amino]ethanol is OCCN(CCOC(F)(F)F)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-[2-(trifluoromethoxy)ethyl]amino]ethanol?
The InChIKey is KJBHRSFPVLGWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F5NO2/c8-6(9)5-13(1-3-14)2-4-15-7(10,11)12/h6,14H,1-5H2.
What are the key properties of 2-[2,2-difluoroethyl-[2-(trifluoromethoxy)ethyl]amino]ethanol?
2-[2,2-difluoroethyl-[2-(trifluoromethoxy)ethyl]amino]ethanol has a molecular weight of 237.17 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[2-(trifluoromethoxy)ethyl]amino]ethanol is sourced from PubChem (CID 107485527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).