2-[2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propan-2-ylamino]ethoxy]ethanol

C10H21F3N2O2 — CID 114276185

IUPAC2-[2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propan-2-ylamino]ethoxy]ethanol
SMILESCC(C)N(CCOCCO)C(CN)C(F)(F)F
InChIInChI=1S/C10H21F3N2O2/c1-8(2)15(3-5-17-6-4-16)9(7-14)10(11,12)13/h8-9,16H,3-7,14H2,1-2H3
InChIKeyUQAVOUHEXUNVJI-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.60
Rot. Bonds8

About 2-[2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propan-2-ylamino]ethoxy]ethanol

2-[2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propan-2-ylamino]ethoxy]ethanol (PubChem CID 114276185) has the molecular formula C10H21F3N2O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propan-2-ylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propan-2-ylamino]ethoxy]ethanol
PubChem CID114276185
Molecular FormulaC10H21F3N2O2
Molecular Weight258.28 g/mol
Exact Mass258.16
IUPAC Name2-[2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propan-2-ylamino]ethoxy]ethanol
SMILESCC(C)N(CCOCCO)C(CN)C(F)(F)F
InChIInChI=1S/C10H21F3N2O2/c1-8(2)15(3-5-17-6-4-16)9(7-14)10(11,12)13/h8-9,16H,3-7,14H2,1-2H3
InChIKeyUQAVOUHEXUNVJI-UHFFFAOYSA-N
XLogP0.60
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]ethanol
CID 60960619
2-[(3-amino-1,1,1-trifluoropropan-2-yl)-(2-hydroxyethyl)amino]ethanol
CID 61242806
1,1,1-trifluoro-2-N-(2-methoxyethyl)-2-N-propan-2-ylbutane-2,3-diamine
CID 82948918
2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]ethanol
CID 61072006
1-[ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethanol
CID 123237316
2-[2-(dimethylamino)ethoxy]ethanol
CID 158737336
4,4,4-trifluoro-3-N-pentyl-3-N-propan-2-ylbutane-1,3-diamine
CID 55001955
3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol
CID 62015613
2-[2-[2-[amino(methyl)amino]ethoxy]ethoxy]ethanol
CID 87109457
3,3,3-trifluoro-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine
CID 79483506
2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2,2,2-trifluoroacetic acid
CID 175688444
2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 19893141

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propan-2-ylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propan-2-ylamino]ethoxy]ethanol (CID 114276185) is 2-[2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propan-2-ylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propan-2-ylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propan-2-ylamino]ethoxy]ethanol is CC(C)N(CCOCCO)C(CN)C(F)(F)F.
What is the InChIKey of 2-[2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propan-2-ylamino]ethoxy]ethanol?
The InChIKey is UQAVOUHEXUNVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O2/c1-8(2)15(3-5-17-6-4-16)9(7-14)10(11,12)13/h8-9,16H,3-7,14H2,1-2H3.
What are the key properties of 2-[2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propan-2-ylamino]ethoxy]ethanol?
2-[2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propan-2-ylamino]ethoxy]ethanol has a molecular weight of 258.28 g/mol, XLogP of 0.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propan-2-ylamino]ethoxy]ethanol is sourced from PubChem (CID 114276185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).