3-(2-butoxyethoxy)-4,4,4-trifluorobutanoic acid

C10H17F3O4 — CID 63072935

IUPAC3-(2-butoxyethoxy)-4,4,4-trifluorobutanoic acid
SMILESCCCCOCCOC(CC(=O)O)C(F)(F)F
InChIInChI=1S/C10H17F3O4/c1-2-3-4-16-5-6-17-8(7-9(14)15)10(11,12)13/h8H,2-7H2,1H3,(H,14,15)
InChIKeyDSKFITYDKBSEQV-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.23
Rot. Bonds9

About 3-(2-butoxyethoxy)-4,4,4-trifluorobutanoic acid

3-(2-butoxyethoxy)-4,4,4-trifluorobutanoic acid (PubChem CID 63072935) has the molecular formula C10H17F3O4 and a molecular weight of 258.24 g/mol. Its IUPAC name is 3-(2-butoxyethoxy)-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name3-(2-butoxyethoxy)-4,4,4-trifluorobutanoic acid
PubChem CID63072935
Molecular FormulaC10H17F3O4
Molecular Weight258.24 g/mol
Exact Mass258.11
IUPAC Name3-(2-butoxyethoxy)-4,4,4-trifluorobutanoic acid
SMILESCCCCOCCOC(CC(=O)O)C(F)(F)F
InChIInChI=1S/C10H17F3O4/c1-2-3-4-16-5-6-17-8(7-9(14)15)10(11,12)13/h8H,2-7H2,1H3,(H,14,15)
InChIKeyDSKFITYDKBSEQV-UHFFFAOYSA-N
XLogP2.23
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.23
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

4,4,4-trifluoro-3-(2-propan-2-yloxyethoxy)butanoic acid
CID 63073610
4,4,4-trifluoro-3-(4-methylpentoxy)butanoic acid
CID 63072939
2-butoxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87566877
4-butoxy-3-ethoxybutanoic acid
CID 88787167
4-(2-butoxyethoxy)pentanoic acid
CID 62213441
5-(2-butoxyethoxy)-1,1,1-trifluoropentan-2-one
CID 157126215
acetic acid;1-butoxybutane
CID 22256220
4,4,4-trifluoro-3-prop-2-enoxybutanoic acid
CID 63073757
2-(2-butoxyethoxy)ethyl 2,2,2-trifluoroacetate
CID 526892
3-(2-butoxyethoxy)butan-2-one
CID 43800225
2-butoxybutanedioic acid;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol
CID 87565763
3-(4-ethoxyphenoxy)-4,4,4-trifluorobutanoic acid
CID 63073593

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethoxy)-4,4,4-trifluorobutanoic acid?
The IUPAC name of 3-(2-butoxyethoxy)-4,4,4-trifluorobutanoic acid (CID 63072935) is 3-(2-butoxyethoxy)-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for 3-(2-butoxyethoxy)-4,4,4-trifluorobutanoic acid?
The canonical SMILES for 3-(2-butoxyethoxy)-4,4,4-trifluorobutanoic acid is CCCCOCCOC(CC(=O)O)C(F)(F)F.
What is the InChIKey of 3-(2-butoxyethoxy)-4,4,4-trifluorobutanoic acid?
The InChIKey is DSKFITYDKBSEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O4/c1-2-3-4-16-5-6-17-8(7-9(14)15)10(11,12)13/h8H,2-7H2,1H3,(H,14,15).
What are the key properties of 3-(2-butoxyethoxy)-4,4,4-trifluorobutanoic acid?
3-(2-butoxyethoxy)-4,4,4-trifluorobutanoic acid has a molecular weight of 258.24 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethoxy)-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 63072935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).