2-amino-1,1,2-trifluoroethanol

C2H4F3NO — CID 87454490

IUPAC2-amino-1,1,2-trifluoroethanol
SMILESNC(F)C(O)(F)F
InChIInChI=1S/C2H4F3NO/c3-1(6)2(4,5)7/h1,7H,6H2
InChIKeyGOAXVYWKZBXRQP-UHFFFAOYSA-N
MW115.05 g/mol
LogP-0.17
Rot. Bonds1

About 2-amino-1,1,2-trifluoroethanol

2-amino-1,1,2-trifluoroethanol (PubChem CID 87454490) has the molecular formula C2H4F3NO and a molecular weight of 115.05 g/mol. Its IUPAC name is 2-amino-1,1,2-trifluoroethanol.

Molecular Properties

Compound Name2-amino-1,1,2-trifluoroethanol
PubChem CID87454490
Molecular FormulaC2H4F3NO
Molecular Weight115.05 g/mol
Exact Mass115.02
IUPAC Name2-amino-1,1,2-trifluoroethanol
SMILESNC(F)C(O)(F)F
InChIInChI=1S/C2H4F3NO/c3-1(6)2(4,5)7/h1,7H,6H2
InChIKeyGOAXVYWKZBXRQP-UHFFFAOYSA-N
XLogP-0.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.05
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-1,1,2-trifluoroethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,1,2-trifluoroethanol?
The IUPAC name of 2-amino-1,1,2-trifluoroethanol (CID 87454490) is 2-amino-1,1,2-trifluoroethanol.
What is the SMILES notation for 2-amino-1,1,2-trifluoroethanol?
The canonical SMILES for 2-amino-1,1,2-trifluoroethanol is NC(F)C(O)(F)F.
What is the InChIKey of 2-amino-1,1,2-trifluoroethanol?
The InChIKey is GOAXVYWKZBXRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F3NO/c3-1(6)2(4,5)7/h1,7H,6H2.
What are the key properties of 2-amino-1,1,2-trifluoroethanol?
2-amino-1,1,2-trifluoroethanol has a molecular weight of 115.05 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,1,2-trifluoroethanol is sourced from PubChem (CID 87454490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).