2-(methylamino)ethanol;2,2,2-trifluoroacetic acid

C5H10F3NO3 — CID 173051239

IUPAC2-(methylamino)ethanol;2,2,2-trifluoroacetic acid
SMILESCNCCO.O=C(O)C(F)(F)F
InChIInChI=1S/C3H9NO.C2HF3O2/c1-4-2-3-5;3-2(4,5)1(6)7/h4-5H,2-3H2,1H3;(H,6,7)
InChIKeyBKUHRVDOFMKQMT-UHFFFAOYSA-N
MW189.13 g/mol
LogP-0.17
Rot. Bonds2

About 2-(methylamino)ethanol;2,2,2-trifluoroacetic acid

2-(methylamino)ethanol;2,2,2-trifluoroacetic acid (PubChem CID 173051239) has the molecular formula C5H10F3NO3 and a molecular weight of 189.13 g/mol. Its IUPAC name is 2-(methylamino)ethanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(methylamino)ethanol;2,2,2-trifluoroacetic acid
PubChem CID173051239
Molecular FormulaC5H10F3NO3
Molecular Weight189.13 g/mol
Exact Mass189.06
IUPAC Name2-(methylamino)ethanol;2,2,2-trifluoroacetic acid
SMILESCNCCO.O=C(O)C(F)(F)F
InChIInChI=1S/C3H9NO.C2HF3O2/c1-4-2-3-5;3-2(4,5)1(6)7/h4-5H,2-3H2,1H3;(H,6,7)
InChIKeyBKUHRVDOFMKQMT-UHFFFAOYSA-N
XLogP-0.17
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.13
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid
CID 86076103
carbonic acid;2-(methylamino)ethanol
CID 87131288
2-(methylamino)ethanol;oxalic acid
CID 11506516
2-(methylamino)ethanol;nobelium
CID 59962769
2-(methylamino)ethanol;platinum
CID 174353574
methane;2-(methylamino)ethanol
CID 158004537
(2R)-2-amino-N-(2-hydroxyethyl)propanamide;2,2,2-trifluoroacetic acid
CID 86677924
ethanol;2,2,2-trifluoroacetic acid;hydrate
CID 18377865
dioxotitanium;2-(methylamino)ethanol
CID 174872921
bis(2-(methylamino)ethanol);nickel(2+);diacetate
CID 158242939
pentane-2,4-dione;2,2,2-trifluoroacetic acid
CID 161201748
bis(dihydroxy(oxo)phosphanium);2-(methylamino)ethanol
CID 88596466

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)ethanol;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(methylamino)ethanol;2,2,2-trifluoroacetic acid (CID 173051239) is 2-(methylamino)ethanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(methylamino)ethanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(methylamino)ethanol;2,2,2-trifluoroacetic acid is CNCCO.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(methylamino)ethanol;2,2,2-trifluoroacetic acid?
The InChIKey is BKUHRVDOFMKQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO.C2HF3O2/c1-4-2-3-5;3-2(4,5)1(6)7/h4-5H,2-3H2,1H3;(H,6,7).
What are the key properties of 2-(methylamino)ethanol;2,2,2-trifluoroacetic acid?
2-(methylamino)ethanol;2,2,2-trifluoroacetic acid has a molecular weight of 189.13 g/mol, XLogP of -0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)ethanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 173051239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).