2-[(3-amino-1,1,1-trifluoropropan-2-yl)-(2-hydroxyethyl)amino]ethanol

C7H15F3N2O2 — CID 61242806

IUPAC2-[(3-amino-1,1,1-trifluoropropan-2-yl)-(2-hydroxyethyl)amino]ethanol
SMILESNCC(N(CCO)CCO)C(F)(F)F
InChIInChI=1S/C7H15F3N2O2/c8-7(9,10)6(5-11)12(1-3-13)2-4-14/h6,13-14H,1-5,11H2
InChIKeySTMMVQYSXKZGPV-UHFFFAOYSA-N
MW216.20 g/mol
LogP-0.84
Rot. Bonds6

About 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-(2-hydroxyethyl)amino]ethanol

2-[(3-amino-1,1,1-trifluoropropan-2-yl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 61242806) has the molecular formula C7H15F3N2O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-amino-1,1,1-trifluoropropan-2-yl)-(2-hydroxyethyl)amino]ethanol
PubChem CID61242806
Molecular FormulaC7H15F3N2O2
Molecular Weight216.20 g/mol
Exact Mass216.11
IUPAC Name2-[(3-amino-1,1,1-trifluoropropan-2-yl)-(2-hydroxyethyl)amino]ethanol
SMILESNCC(N(CCO)CCO)C(F)(F)F
InChIInChI=1S/C7H15F3N2O2/c8-7(9,10)6(5-11)12(1-3-13)2-4-14/h6,13-14H,1-5,11H2
InChIKeySTMMVQYSXKZGPV-UHFFFAOYSA-N
XLogP-0.84
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-(2-hydroxyethyl)amino]ethanol (CID 61242806) is 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-(2-hydroxyethyl)amino]ethanol is NCC(N(CCO)CCO)C(F)(F)F.
What is the InChIKey of 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is STMMVQYSXKZGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O2/c8-7(9,10)6(5-11)12(1-3-13)2-4-14/h6,13-14H,1-5,11H2.
What are the key properties of 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-(2-hydroxyethyl)amino]ethanol?
2-[(3-amino-1,1,1-trifluoropropan-2-yl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 216.20 g/mol, XLogP of -0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 61242806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).