2-aminoethanol;2,2,2-trifluoroacetic acid

C4H8F3NO3 — CID 13000305

IUPAC2-aminoethanol;2,2,2-trifluoroacetic acid
SMILESNCCO.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H7NO/c3-2(4,5)1(6)7;3-1-2-4/h(H,6,7);4H,1-3H2
InChIKeyOABLNJAVZZMDFN-UHFFFAOYSA-N
MW175.11 g/mol
LogP-0.43
Rot. Bonds1

About 2-aminoethanol;2,2,2-trifluoroacetic acid

2-aminoethanol;2,2,2-trifluoroacetic acid (PubChem CID 13000305) has the molecular formula C4H8F3NO3 and a molecular weight of 175.11 g/mol. Its IUPAC name is 2-aminoethanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-aminoethanol;2,2,2-trifluoroacetic acid
PubChem CID13000305
Molecular FormulaC4H8F3NO3
Molecular Weight175.11 g/mol
Exact Mass175.05
IUPAC Name2-aminoethanol;2,2,2-trifluoroacetic acid
SMILESNCCO.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H7NO/c3-2(4,5)1(6)7;3-1-2-4/h(H,6,7);4H,1-3H2
InChIKeyOABLNJAVZZMDFN-UHFFFAOYSA-N
XLogP-0.43
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.11
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Ethanolamine acetate
CID 108573
Ethylamine Trifluoroacetate
CID 86017709
2-Hydroxy ethylammonium acetate
CID 71438255
Ethanol;methanamine;2,2,2-trifluoroacetic acid
CID 175427045
2-Hydroxyethylazanium;2,2,2-trifluoroacetate
CID 21903073
2-(Methylamino)ethanol;2,2,2-trifluoroacetic acid
CID 173051239
Bis(2-hydroxyethyl)azanium;2,2,2-trifluoroacetate
CID 21903102
2-Methoxyethylammonium trifluoroacetate
CID 22623616
2-Aminoethanol;2,2,3,3,3-pentafluoropropanoic acid
CID 86075939
2-Aminoethanol;2,2,3,3,4,4,4-heptafluorobutanoic acid
CID 86075943
Acetic acid;2,2-difluoroethanamine
CID 87244303
1-Hydroxyethylazanium;2,2,2-trifluoroacetate
CID 87299528

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-aminoethanol;2,2,2-trifluoroacetic acid (CID 13000305) is 2-aminoethanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-aminoethanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-aminoethanol;2,2,2-trifluoroacetic acid is NCCO.O=C(O)C(F)(F)F.
What is the InChIKey of 2-aminoethanol;2,2,2-trifluoroacetic acid?
The InChIKey is OABLNJAVZZMDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.C2H7NO/c3-2(4,5)1(6)7;3-1-2-4/h(H,6,7);4H,1-3H2.
What are the key properties of 2-aminoethanol;2,2,2-trifluoroacetic acid?
2-aminoethanol;2,2,2-trifluoroacetic acid has a molecular weight of 175.11 g/mol, XLogP of -0.43, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 13000305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).