2-(ethoxymethyl)-3,3,3-trifluoropropanoic acid

C6H9F3O3 — CID 23113136

IUPAC2-(ethoxymethyl)-3,3,3-trifluoropropanoic acid
SMILESCCOCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C6H9F3O3/c1-2-12-3-4(5(10)11)6(7,8)9/h4H,2-3H2,1H3,(H,10,11)
InChIKeyQLXQAYGODAVIKI-UHFFFAOYSA-N
MW186.13 g/mol
LogP1.29
Rot. Bonds4

About 2-(ethoxymethyl)-3,3,3-trifluoropropanoic acid

2-(ethoxymethyl)-3,3,3-trifluoropropanoic acid (PubChem CID 23113136) has the molecular formula C6H9F3O3 and a molecular weight of 186.13 g/mol. Its IUPAC name is 2-(ethoxymethyl)-3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name2-(ethoxymethyl)-3,3,3-trifluoropropanoic acid
PubChem CID23113136
Molecular FormulaC6H9F3O3
Molecular Weight186.13 g/mol
Exact Mass186.05
IUPAC Name2-(ethoxymethyl)-3,3,3-trifluoropropanoic acid
SMILESCCOCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C6H9F3O3/c1-2-12-3-4(5(10)11)6(7,8)9/h4H,2-3H2,1H3,(H,10,11)
InChIKeyQLXQAYGODAVIKI-UHFFFAOYSA-N
XLogP1.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propanoic acid
CID 106450369
2-(trifluoromethyl)butanoic acid;hydrochloride
CID 175076034
2-(trifluoromethyl)pentanoic acid
CID 20539748
3,3,3-trifluoro-2-(phenylmethoxymethyl)propanoic acid
CID 23113141
3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propanoic acid
CID 103372243
4,4-dimethyl-2-(trifluoromethyl)pentanoic acid
CID 58559804
3,3,3-trifluoro-2-(sulfanylmethyl)propanoic acid
CID 15311141
2-[(3-ethylpentan-3-ylamino)methyl]-3,3,3-trifluoropropanoic acid
CID 103253838
3,3,3-trifluoro-2-[(3-methylpentan-2-ylamino)methyl]propanoic acid
CID 103244075
2-(1-ethoxypropan-2-yl)pentanoic acid
CID 172824174
tert-butyl 2-(ethoxymethyl)-3,3-dimethylbutanoate
CID 139783309
3-ethoxy-1,1,1-trifluoropropan-2-amine
CID 64981755

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-3,3,3-trifluoropropanoic acid?
The IUPAC name of 2-(ethoxymethyl)-3,3,3-trifluoropropanoic acid (CID 23113136) is 2-(ethoxymethyl)-3,3,3-trifluoropropanoic acid.
What is the SMILES notation for 2-(ethoxymethyl)-3,3,3-trifluoropropanoic acid?
The canonical SMILES for 2-(ethoxymethyl)-3,3,3-trifluoropropanoic acid is CCOCC(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-(ethoxymethyl)-3,3,3-trifluoropropanoic acid?
The InChIKey is QLXQAYGODAVIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O3/c1-2-12-3-4(5(10)11)6(7,8)9/h4H,2-3H2,1H3,(H,10,11).
What are the key properties of 2-(ethoxymethyl)-3,3,3-trifluoropropanoic acid?
2-(ethoxymethyl)-3,3,3-trifluoropropanoic acid has a molecular weight of 186.13 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 23113136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).