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

C6H13F3N2O — CID 60960619

IUPAC2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]ethanol
SMILESCN(CCO)C(CN)C(F)(F)F
InChIInChI=1S/C6H13F3N2O/c1-11(2-3-12)5(4-10)6(7,8)9/h5,12H,2-4,10H2,1H3
InChIKeyYVDZQESYANOWHI-UHFFFAOYSA-N
MW186.18 g/mol
LogP-0.20
Rot. Bonds4

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

2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]ethanol (PubChem CID 60960619) has the molecular formula C6H13F3N2O and a molecular weight of 186.18 g/mol. Its IUPAC name is 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]ethanol
PubChem CID60960619
Molecular FormulaC6H13F3N2O
Molecular Weight186.18 g/mol
Exact Mass186.10
IUPAC Name2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]ethanol
SMILESCN(CCO)C(CN)C(F)(F)F
InChIInChI=1S/C6H13F3N2O/c1-11(2-3-12)5(4-10)6(7,8)9/h5,12H,2-4,10H2,1H3
InChIKeyYVDZQESYANOWHI-UHFFFAOYSA-N
XLogP-0.20
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]ethanol?
The IUPAC name of 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]ethanol (CID 60960619) is 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]ethanol.
What is the SMILES notation for 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]ethanol?
The canonical SMILES for 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]ethanol is CN(CCO)C(CN)C(F)(F)F.
What is the InChIKey of 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]ethanol?
The InChIKey is YVDZQESYANOWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2O/c1-11(2-3-12)5(4-10)6(7,8)9/h5,12H,2-4,10H2,1H3.
What are the key properties of 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]ethanol?
2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]ethanol has a molecular weight of 186.18 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]ethanol is sourced from PubChem (CID 60960619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).