2-[bis(2-hydroxyethyl)amino]-3,3,3-trifluoropropanoic acid

C7H12F3NO4 — CID 23364172

IUPAC2-[bis(2-hydroxyethyl)amino]-3,3,3-trifluoropropanoic acid
SMILESO=C(O)C(N(CCO)CCO)C(F)(F)F
InChIInChI=1S/C7H12F3NO4/c8-7(9,10)5(6(14)15)11(1-3-12)2-4-13/h5,12-13H,1-4H2,(H,14,15)
InChIKeyYMDUGIWXZBMESP-UHFFFAOYSA-N
MW231.17 g/mol
LogP-0.71
Rot. Bonds6

About 2-[bis(2-hydroxyethyl)amino]-3,3,3-trifluoropropanoic acid

2-[bis(2-hydroxyethyl)amino]-3,3,3-trifluoropropanoic acid (PubChem CID 23364172) has the molecular formula C7H12F3NO4 and a molecular weight of 231.17 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]-3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]-3,3,3-trifluoropropanoic acid
PubChem CID23364172
Molecular FormulaC7H12F3NO4
Molecular Weight231.17 g/mol
Exact Mass231.07
IUPAC Name2-[bis(2-hydroxyethyl)amino]-3,3,3-trifluoropropanoic acid
SMILESO=C(O)C(N(CCO)CCO)C(F)(F)F
InChIInChI=1S/C7H12F3NO4/c8-7(9,10)5(6(14)15)11(1-3-12)2-4-13/h5,12-13H,1-4H2,(H,14,15)
InChIKeyYMDUGIWXZBMESP-UHFFFAOYSA-N
XLogP-0.71
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-Bis(carboxymethyl)serine
CID 21256139
Sodium;2-[bis(2-hydroxyethyl)amino]-3,3,3-trifluoropropanoate
CID 23683236
(2S)-2-[methyl-(1,1,1-trifluoro-4-hydroxybutan-2-yl)amino]propanoic acid
CID 134423704
(2S)-2-[methyl(1,1,1-trifluorobutan-2-yl)amino]propanoic acid
CID 134423882
2-[Methyl-(1,1,1-trifluoro-4-hydroxybutan-2-yl)amino]propanoic acid
CID 145202628
2-[Bis(2-fluoroethyl)amino]-3-fluoropropanoic acid
CID 174624340
2-[Bis(2,2,2-trifluoroethyl)amino]-3-fluoropropanoic acid
CID 174624341
2-[2-Hydroxyethyl(methyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid
CID 175205705
2-[Methyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 60892344
2-[Propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 61604798
2-[Ethyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 61604938
2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 61605017

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]-3,3,3-trifluoropropanoic acid?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]-3,3,3-trifluoropropanoic acid (CID 23364172) is 2-[bis(2-hydroxyethyl)amino]-3,3,3-trifluoropropanoic acid.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]-3,3,3-trifluoropropanoic acid?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]-3,3,3-trifluoropropanoic acid is O=C(O)C(N(CCO)CCO)C(F)(F)F.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]-3,3,3-trifluoropropanoic acid?
The InChIKey is YMDUGIWXZBMESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO4/c8-7(9,10)5(6(14)15)11(1-3-12)2-4-13/h5,12-13H,1-4H2,(H,14,15).
What are the key properties of 2-[bis(2-hydroxyethyl)amino]-3,3,3-trifluoropropanoic acid?
2-[bis(2-hydroxyethyl)amino]-3,3,3-trifluoropropanoic acid has a molecular weight of 231.17 g/mol, XLogP of -0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]-3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 23364172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).