3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propanoic acid

C10H17F3O4 — CID 106450369

IUPAC3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propanoic acid
SMILESCC(C)COCCOCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H17F3O4/c1-7(2)5-16-3-4-17-6-8(9(14)15)10(11,12)13/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyNQYLZDDSSJGJGX-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.94
Rot. Bonds8

About 3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propanoic acid

3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propanoic acid (PubChem CID 106450369) has the molecular formula C10H17F3O4 and a molecular weight of 258.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propanoic acid
PubChem CID106450369
Molecular FormulaC10H17F3O4
Molecular Weight258.24 g/mol
Exact Mass258.11
IUPAC Name3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propanoic acid
SMILESCC(C)COCCOCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H17F3O4/c1-7(2)5-16-3-4-17-6-8(9(14)15)10(11,12)13/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyNQYLZDDSSJGJGX-UHFFFAOYSA-N
XLogP1.94
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethoxymethyl)-3,3,3-trifluoropropanoic acid
CID 23113136
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid
CID 175405425
3-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]propanoic acid
CID 87457805
2-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106446603
2-amino-2-methyl-4-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106448821
3-(2-methylpropoxy)propanoic acid
CID 15033462
3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propan-1-amine
CID 106447048
3,3,3-trifluoro-2-(phenylmethoxymethyl)propanoic acid
CID 23113141
2-amino-4-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106448971
3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propanoic acid
CID 103372243
2-(2-methylpropoxy)ethyl acetate
CID 520944
(2S)-2-amino-4-(2-methylpropoxy)butanoic acid
CID 103942646

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propanoic acid (CID 106450369) is 3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propanoic acid is CC(C)COCCOCC(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propanoic acid?
The InChIKey is NQYLZDDSSJGJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O4/c1-7(2)5-16-3-4-17-6-8(9(14)15)10(11,12)13/h7-8H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propanoic acid?
3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propanoic acid has a molecular weight of 258.24 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propanoic acid is sourced from PubChem (CID 106450369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).