3-[bis(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid

C10H18F3NO4 — CID 63073159

IUPAC3-[bis(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid
SMILESCOCCN(CCOC)C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C10H18F3NO4/c1-17-5-3-14(4-6-18-2)8(7-9(15)16)10(11,12)13/h8H,3-7H2,1-2H3,(H,15,16)
InChIKeyXHPXZMPSYKLNSS-UHFFFAOYSA-N
MW273.25 g/mol
LogP0.99
Rot. Bonds9

About 3-[bis(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid

3-[bis(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid (PubChem CID 63073159) has the molecular formula C10H18F3NO4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid
PubChem CID63073159
Molecular FormulaC10H18F3NO4
Molecular Weight273.25 g/mol
Exact Mass273.12
IUPAC Name3-[bis(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid
SMILESCOCCN(CCOC)C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C10H18F3NO4/c1-17-5-3-14(4-6-18-2)8(7-9(15)16)10(11,12)13/h8H,3-7H2,1-2H3,(H,15,16)
InChIKeyXHPXZMPSYKLNSS-UHFFFAOYSA-N
XLogP0.99
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-Dimethylmorpholin-4-yl)-2,3,3-trifluoro-2-methylpropanoic acid
CID 129185128
(2S)-2-[(4-ethoxy-1,1,1-trifluoro-4-oxobutan-2-yl)-methylamino]propanoic acid
CID 134423881
1-[(4-Ethoxy-1,1,1-trifluoro-4-oxobutan-2-yl)-methylamino]cyclopropane-1-carboxylic acid
CID 145202564
2-Carboxyethyl-dimethyl-[2-(4,4,5,5,5-pentafluoropentanoyloxy)ethyl]azanium
CID 158235629
1S-carboxyethyl-N(Me)bAla(3-CF3)-OEt.1S-carboxyethyl-N(Me)bAla(3-CF3)-ol
CID 158514842
Methyl 4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoate;hydrochloride
CID 174688025
3-[Propan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanoic acid
CID 54961979
3-[Cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid
CID 54962276
3-[Propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid
CID 54962277
4-[Propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]butanoic acid
CID 54962326
3-[Tert-butyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid
CID 54962328
3-[Ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]butanoic acid
CID 55124058

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid?
The IUPAC name of 3-[bis(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid (CID 63073159) is 3-[bis(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for 3-[bis(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid?
The canonical SMILES for 3-[bis(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid is COCCN(CCOC)C(CC(=O)O)C(F)(F)F.
What is the InChIKey of 3-[bis(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid?
The InChIKey is XHPXZMPSYKLNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO4/c1-17-5-3-14(4-6-18-2)8(7-9(15)16)10(11,12)13/h8H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 3-[bis(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid?
3-[bis(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid has a molecular weight of 273.25 g/mol, XLogP of 0.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 63073159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).