4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoic acid

C8H10F6O4 — CID 164747394

IUPAC4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoic acid
SMILESCOCCOC(CC(=O)O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6O4/c1-17-2-3-18-6(4-5(15)16,7(9,10)11)8(12,13)14/h2-4H2,1H3,(H,15,16)
InChIKeyVIWIMHOIGPHWLD-UHFFFAOYSA-N
MW284.15 g/mol
LogP1.99
Rot. Bonds6

About 4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoic acid

4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoic acid (PubChem CID 164747394) has the molecular formula C8H10F6O4 and a molecular weight of 284.15 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoic acid.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoic acid
PubChem CID164747394
Molecular FormulaC8H10F6O4
Molecular Weight284.15 g/mol
Exact Mass284.05
IUPAC Name4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoic acid
SMILESCOCCOC(CC(=O)O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6O4/c1-17-2-3-18-6(4-5(15)16,7(9,10)11)8(12,13)14/h2-4H2,1H3,(H,15,16)
InChIKeyVIWIMHOIGPHWLD-UHFFFAOYSA-N
XLogP1.99
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 51.99
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

Malonic acid, (1-hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl-, diethyl ester
CID 12677
Ethyl 2,2-difluoro-3-hydroxy-3-methylbutanoate
CID 10487666
Ethyl 4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate
CID 25146776
Ethyl 4,4,4-trifluoro-3,3-dihydroxy-2-methylbutanoate
CID 18987703
1-O-ethyl 3-O-[1,1,1,4,4,4-hexafluoro-3-hydroxy-2,3-bis(trifluoromethyl)butan-2-yl] 2-(trifluoromethyl)propanedioate
CID 12504219
2-(Trifluoromethoxy)ethyl 3-hydroxy-3-methyl-2-(trifluoromethoxy)butanoate
CID 134879317
2-(2-ethoxyethoxy)ethyl (3R)-4,4,4-trifluoro-3-hydroxybutanoate
CID 20781994
2-ethoxyethyl (3R)-4,4,4-trifluoro-3-hydroxybutanoate
CID 20781995
Ethyl 3-methoxy-3-methyl-2-(trifluoromethyl)butanoate;3-methoxy-3-methyl-2-(trifluoromethyl)butan-1-ol
CID 21811430
Ethyl 2,4,4,4-tetrafluoro-3,3-dihydroxybutanoate
CID 22218151
2-Ethoxyethyl 4,4,4-trifluoro-3-hydroxybutanoate
CID 22481558
2-(2-Ethoxyethoxy)ethyl 4,4,4-trifluoro-3-hydroxybutanoate
CID 22481559

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoic acid?
The IUPAC name of 4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoic acid (CID 164747394) is 4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoic acid.
What is the SMILES notation for 4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoic acid?
The canonical SMILES for 4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoic acid is COCCOC(CC(=O)O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoic acid?
The InChIKey is VIWIMHOIGPHWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6O4/c1-17-2-3-18-6(4-5(15)16,7(9,10)11)8(12,13)14/h2-4H2,1H3,(H,15,16).
What are the key properties of 4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoic acid?
4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoic acid has a molecular weight of 284.15 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(2-methoxyethoxy)-3-(trifluoromethyl)butanoic acid is sourced from PubChem (CID 164747394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).