2-(methylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid

C6H10F5NO3 — CID 86076103

IUPAC2-(methylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid
SMILESCNCCO.O=C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C3HF5O2.C3H9NO/c4-2(5,1(9)10)3(6,7)8;1-4-2-3-5/h(H,9,10);4-5H,2-3H2,1H3
InChIKeyGXYWLOKSHODZHV-UHFFFAOYSA-N
MW239.14 g/mol
LogP0.47
Rot. Bonds3

About 2-(methylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid

2-(methylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid (PubChem CID 86076103) has the molecular formula C6H10F5NO3 and a molecular weight of 239.14 g/mol. Its IUPAC name is 2-(methylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid.

Molecular Properties

Compound Name2-(methylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid
PubChem CID86076103
Molecular FormulaC6H10F5NO3
Molecular Weight239.14 g/mol
Exact Mass239.06
IUPAC Name2-(methylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid
SMILESCNCCO.O=C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C3HF5O2.C3H9NO/c4-2(5,1(9)10)3(6,7)8;1-4-2-3-5/h(H,9,10);4-5H,2-3H2,1H3
InChIKeyGXYWLOKSHODZHV-UHFFFAOYSA-N
XLogP0.47
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.14
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)ethanol;2,2,2-trifluoroacetic acid
CID 173051239
2-(2-hydroxyethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid
CID 86076050
carbonic acid;2-(methylamino)ethanol
CID 87131288
2-(methylamino)ethanol;oxalic acid
CID 11506516
CID 161395602
CID 161395602
Pentafluoropropanoic acid sodium
CID 71650614
pentadecan-1-ol;2,2,3,3,3-pentafluoropropanoic acid
CID 175469036
strontium;hydride;2,2,3,3,3-pentafluoropropanoic acid
CID 173226742
2-(methylamino)ethanol;nobelium
CID 59962769
2-(methylamino)ethanol;platinum
CID 174353574
methane;2-(methylamino)ethanol
CID 158004537
dioxotitanium;2-(methylamino)ethanol
CID 174872921

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid?
The IUPAC name of 2-(methylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid (CID 86076103) is 2-(methylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid.
What is the SMILES notation for 2-(methylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid?
The canonical SMILES for 2-(methylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid is CNCCO.O=C(O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(methylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid?
The InChIKey is GXYWLOKSHODZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF5O2.C3H9NO/c4-2(5,1(9)10)3(6,7)8;1-4-2-3-5/h(H,9,10);4-5H,2-3H2,1H3.
What are the key properties of 2-(methylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid?
2-(methylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid has a molecular weight of 239.14 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid is sourced from PubChem (CID 86076103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).