2-[(4-amino-1,1,1-trifluorobutan-2-yl)-ethylamino]ethanol

C8H17F3N2O — CID 60980629

IUPAC2-[(4-amino-1,1,1-trifluorobutan-2-yl)-ethylamino]ethanol
SMILESCCN(CCO)C(CCN)C(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-2-13(5-6-14)7(3-4-12)8(9,10)11/h7,14H,2-6,12H2,1H3
InChIKeyLTXWTOCIZNUQHM-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.58
Rot. Bonds6

About 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-ethylamino]ethanol

2-[(4-amino-1,1,1-trifluorobutan-2-yl)-ethylamino]ethanol (PubChem CID 60980629) has the molecular formula C8H17F3N2O and a molecular weight of 214.23 g/mol. Its IUPAC name is 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-1,1,1-trifluorobutan-2-yl)-ethylamino]ethanol
PubChem CID60980629
Molecular FormulaC8H17F3N2O
Molecular Weight214.23 g/mol
Exact Mass214.13
IUPAC Name2-[(4-amino-1,1,1-trifluorobutan-2-yl)-ethylamino]ethanol
SMILESCCN(CCO)C(CCN)C(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-2-13(5-6-14)7(3-4-12)8(9,10)11/h7,14H,2-6,12H2,1H3
InChIKeyLTXWTOCIZNUQHM-UHFFFAOYSA-N
XLogP0.58
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-ethylamino]ethanol?
The IUPAC name of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-ethylamino]ethanol (CID 60980629) is 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-ethylamino]ethanol.
What is the SMILES notation for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-ethylamino]ethanol?
The canonical SMILES for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-ethylamino]ethanol is CCN(CCO)C(CCN)C(F)(F)F.
What is the InChIKey of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-ethylamino]ethanol?
The InChIKey is LTXWTOCIZNUQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O/c1-2-13(5-6-14)7(3-4-12)8(9,10)11/h7,14H,2-6,12H2,1H3.
What are the key properties of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-ethylamino]ethanol?
2-[(4-amino-1,1,1-trifluorobutan-2-yl)-ethylamino]ethanol has a molecular weight of 214.23 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-ethylamino]ethanol is sourced from PubChem (CID 60980629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).