2-aminoethanol;2,2,3,3,3-pentafluoropropanoic acid

C5H8F5NO3 — CID 86075939

IUPAC2-aminoethanol;2,2,3,3,3-pentafluoropropanoic acid
SMILESNCCO.O=C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C3HF5O2.C2H7NO/c4-2(5,1(9)10)3(6,7)8;3-1-2-4/h(H,9,10);4H,1-3H2
InChIKeyVSDZMKQLIMQPLL-UHFFFAOYSA-N
MW225.11 g/mol
LogP0.21
Rot. Bonds2

About 2-aminoethanol;2,2,3,3,3-pentafluoropropanoic acid

2-aminoethanol;2,2,3,3,3-pentafluoropropanoic acid (PubChem CID 86075939) has the molecular formula C5H8F5NO3 and a molecular weight of 225.11 g/mol. Its IUPAC name is 2-aminoethanol;2,2,3,3,3-pentafluoropropanoic acid.

Molecular Properties

Compound Name2-aminoethanol;2,2,3,3,3-pentafluoropropanoic acid
PubChem CID86075939
Molecular FormulaC5H8F5NO3
Molecular Weight225.11 g/mol
Exact Mass225.04
IUPAC Name2-aminoethanol;2,2,3,3,3-pentafluoropropanoic acid
SMILESNCCO.O=C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C3HF5O2.C2H7NO/c4-2(5,1(9)10)3(6,7)8;3-1-2-4/h(H,9,10);4H,1-3H2
InChIKeyVSDZMKQLIMQPLL-UHFFFAOYSA-N
XLogP0.21
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.11
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-aminoethanol;2,2,3,3,3-pentafluoropropanoic acid 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-aminoethanol;2,2,3,3,3-pentafluoropropanoic acid?
The IUPAC name of 2-aminoethanol;2,2,3,3,3-pentafluoropropanoic acid (CID 86075939) is 2-aminoethanol;2,2,3,3,3-pentafluoropropanoic acid.
What is the SMILES notation for 2-aminoethanol;2,2,3,3,3-pentafluoropropanoic acid?
The canonical SMILES for 2-aminoethanol;2,2,3,3,3-pentafluoropropanoic acid is NCCO.O=C(O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-aminoethanol;2,2,3,3,3-pentafluoropropanoic acid?
The InChIKey is VSDZMKQLIMQPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF5O2.C2H7NO/c4-2(5,1(9)10)3(6,7)8;3-1-2-4/h(H,9,10);4H,1-3H2.
What are the key properties of 2-aminoethanol;2,2,3,3,3-pentafluoropropanoic acid?
2-aminoethanol;2,2,3,3,3-pentafluoropropanoic acid has a molecular weight of 225.11 g/mol, XLogP of 0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2,2,3,3,3-pentafluoropropanoic acid is sourced from PubChem (CID 86075939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).