2-(2,3,3,3-tetrafluoro-2-hydroxypropanoyl)oxyethyl 2-methylbutanoate

C10H14F4O5 — CID 20826485

IUPAC2-(2,3,3,3-tetrafluoro-2-hydroxypropanoyl)oxyethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCCOC(=O)C(O)(F)C(F)(F)F
InChIInChI=1S/C10H14F4O5/c1-3-6(2)7(15)18-4-5-19-8(16)9(11,17)10(12,13)14/h6,17H,3-5H2,1-2H3
InChIKeyUXCVYVQBEZOWQA-UHFFFAOYSA-N
MW290.21 g/mol
LogP1.34
Rot. Bonds6

About 2-(2,3,3,3-tetrafluoro-2-hydroxypropanoyl)oxyethyl 2-methylbutanoate

2-(2,3,3,3-tetrafluoro-2-hydroxypropanoyl)oxyethyl 2-methylbutanoate (PubChem CID 20826485) has the molecular formula C10H14F4O5 and a molecular weight of 290.21 g/mol. Its IUPAC name is 2-(2,3,3,3-tetrafluoro-2-hydroxypropanoyl)oxyethyl 2-methylbutanoate.

Molecular Properties

Compound Name2-(2,3,3,3-tetrafluoro-2-hydroxypropanoyl)oxyethyl 2-methylbutanoate
PubChem CID20826485
Molecular FormulaC10H14F4O5
Molecular Weight290.21 g/mol
Exact Mass290.08
IUPAC Name2-(2,3,3,3-tetrafluoro-2-hydroxypropanoyl)oxyethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCCOC(=O)C(O)(F)C(F)(F)F
InChIInChI=1S/C10H14F4O5/c1-3-6(2)7(15)18-4-5-19-8(16)9(11,17)10(12,13)14/h6,17H,3-5H2,1-2H3
InChIKeyUXCVYVQBEZOWQA-UHFFFAOYSA-N
XLogP1.34
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Methylbutyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
CID 15269882
Butanoic acid, 2-hydroxy-2-(trifluoromethyl)-, ethyl ester
CID 57437841
2-Hydroxyisocaproic acid, pentafluoropropionate
CID 91694730
2-Hydroxyisocaproic acid, heptafluorobutyrate
CID 91694733
Ethyl 2-hydroxy-3-methyl-2-(trifluoromethyl)butanoate
CID 83411463
ethyl (2R)-2-hydroxy-2-(trifluoromethyl)butanoate
CID 23635695
ethyl (2S)-2-hydroxy-2-(trifluoromethyl)butanoate
CID 96086306
Butyl 4,4,4-trifluoro-2-hydroxy-2-methylbutanoate
CID 15006645
Propanoic acid, 3,3,3-trifluoro-2-hydroxy-2-methyl-, butyl ester
CID 9794369
butyl (2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoate
CID 11117391
Ethyl 4,4,4-trifluoro-2-hydroxy-3-methylbutanoate
CID 13595263
ethyl (2S,3S)-4,4,4-trifluoro-2-hydroxy-3-methylbutanoate
CID 13595266

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3,3-tetrafluoro-2-hydroxypropanoyl)oxyethyl 2-methylbutanoate?
The IUPAC name of 2-(2,3,3,3-tetrafluoro-2-hydroxypropanoyl)oxyethyl 2-methylbutanoate (CID 20826485) is 2-(2,3,3,3-tetrafluoro-2-hydroxypropanoyl)oxyethyl 2-methylbutanoate.
What is the SMILES notation for 2-(2,3,3,3-tetrafluoro-2-hydroxypropanoyl)oxyethyl 2-methylbutanoate?
The canonical SMILES for 2-(2,3,3,3-tetrafluoro-2-hydroxypropanoyl)oxyethyl 2-methylbutanoate is CCC(C)C(=O)OCCOC(=O)C(O)(F)C(F)(F)F.
What is the InChIKey of 2-(2,3,3,3-tetrafluoro-2-hydroxypropanoyl)oxyethyl 2-methylbutanoate?
The InChIKey is UXCVYVQBEZOWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F4O5/c1-3-6(2)7(15)18-4-5-19-8(16)9(11,17)10(12,13)14/h6,17H,3-5H2,1-2H3.
What are the key properties of 2-(2,3,3,3-tetrafluoro-2-hydroxypropanoyl)oxyethyl 2-methylbutanoate?
2-(2,3,3,3-tetrafluoro-2-hydroxypropanoyl)oxyethyl 2-methylbutanoate has a molecular weight of 290.21 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3,3-tetrafluoro-2-hydroxypropanoyl)oxyethyl 2-methylbutanoate is sourced from PubChem (CID 20826485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).