2-(1,1,2-trifluoroethylamino)ethanol

C4H8F3NO — CID 88626793

IUPAC2-(1,1,2-trifluoroethylamino)ethanol
SMILESOCCNC(F)(F)CF
InChIInChI=1S/C4H8F3NO/c5-3-4(6,7)8-1-2-9/h8-9H,1-3H2
InChIKeyKKIWMAXQOLUVFL-UHFFFAOYSA-N
MW143.11 g/mol
LogP0.13
Rot. Bonds4

About 2-(1,1,2-trifluoroethylamino)ethanol

2-(1,1,2-trifluoroethylamino)ethanol (PubChem CID 88626793) has the molecular formula C4H8F3NO and a molecular weight of 143.11 g/mol. Its IUPAC name is 2-(1,1,2-trifluoroethylamino)ethanol.

Molecular Properties

Compound Name2-(1,1,2-trifluoroethylamino)ethanol
PubChem CID88626793
Molecular FormulaC4H8F3NO
Molecular Weight143.11 g/mol
Exact Mass143.06
IUPAC Name2-(1,1,2-trifluoroethylamino)ethanol
SMILESOCCNC(F)(F)CF
InChIInChI=1S/C4H8F3NO/c5-3-4(6,7)8-1-2-9/h8-9H,1-3H2
InChIKeyKKIWMAXQOLUVFL-UHFFFAOYSA-N
XLogP0.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.11
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-(1,1,2-trifluoroethylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diethanolamine
CID 8113
2-(Ethylamino)ethanol
CID 8072
2-((2,2-Difluoropropyl)amino)ethanol
CID 2758357
2-[(2,2,2-Trifluoroethyl)amino]ethan-1-ol
CID 14513794
3-(Ethylamino)-1,1,1-trifluoropropan-2-ol
CID 63900017
Bis-(2-hydroxyethyl)ammonium
CID 3736299
(2S)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol hydrochloride
CID 165997674
(2R)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol hydrochloride
CID 165999154
Water-diethanolamine
CID 129664504
2-(Fluoromethylamino)ethanol
CID 19927067
2-(Difluoromethylamino)ethanol
CID 19927070
O-[2-(2,2,2-trifluoro-ethylamino)-ethyl]-hydroxylamine
CID 22286011

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2-trifluoroethylamino)ethanol?
The IUPAC name of 2-(1,1,2-trifluoroethylamino)ethanol (CID 88626793) is 2-(1,1,2-trifluoroethylamino)ethanol.
What is the SMILES notation for 2-(1,1,2-trifluoroethylamino)ethanol?
The canonical SMILES for 2-(1,1,2-trifluoroethylamino)ethanol is OCCNC(F)(F)CF.
What is the InChIKey of 2-(1,1,2-trifluoroethylamino)ethanol?
The InChIKey is KKIWMAXQOLUVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO/c5-3-4(6,7)8-1-2-9/h8-9H,1-3H2.
What are the key properties of 2-(1,1,2-trifluoroethylamino)ethanol?
2-(1,1,2-trifluoroethylamino)ethanol has a molecular weight of 143.11 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2-trifluoroethylamino)ethanol is sourced from PubChem (CID 88626793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).