2-[2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl]oxyethyl 2-methylbutanoate

C11H15F5O5 — CID 168734523

IUPAC2-[2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl]oxyethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCCOC(=O)C(F)(OCF)C(F)(F)F
InChIInChI=1S/C11H15F5O5/c1-3-7(2)8(17)19-4-5-20-9(18)10(13,21-6-12)11(14,15)16/h7H,3-6H2,1-2H3
InChIKeyWEBAHBFVXMBCKW-UHFFFAOYSA-N
MW322.23 g/mol
LogP2.29
Rot. Bonds8

About 2-[2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl]oxyethyl 2-methylbutanoate

2-[2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl]oxyethyl 2-methylbutanoate (PubChem CID 168734523) has the molecular formula C11H15F5O5 and a molecular weight of 322.23 g/mol. Its IUPAC name is 2-[2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl]oxyethyl 2-methylbutanoate.

Molecular Properties

Compound Name2-[2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl]oxyethyl 2-methylbutanoate
PubChem CID168734523
Molecular FormulaC11H15F5O5
Molecular Weight322.23 g/mol
Exact Mass322.08
IUPAC Name2-[2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl]oxyethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCCOC(=O)C(F)(OCF)C(F)(F)F
InChIInChI=1S/C11H15F5O5/c1-3-7(2)8(17)19-4-5-20-9(18)10(13,21-6-12)11(14,15)16/h7H,3-6H2,1-2H3
InChIKeyWEBAHBFVXMBCKW-UHFFFAOYSA-N
XLogP2.29
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2,2-difluoro-2-(fluoromethoxy)ethoxy]ethyl 2-methylbutanoate
CID 168734514
methane;2-methoxyethyl 2-methylbutanoate
CID 165084023
3,3,4,4,5,5,6,6,6-nonafluorohexyl 2-methylbutanoate
CID 20727687
propyl (2R)-2-methylbutanoate
CID 86306230
2-ethoxyethyl (2R)-2-methylbutanoate
CID 59033497
4-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 1-O-(3,3,3-trifluoropropyl) butanedioate;4-O-[2-(2-methylbutanoyloxy)ethyl] 1-O-(3,3,3-trifluoropropyl) butanedioate
CID 123520350
1,1,1,2,3,3,3-heptafluoropropan-2-yl 2-methylbutanoate
CID 153303704
[3-oxo-3-(2,2,2-trifluoroethoxy)propyl] 2-methylbutanoate
CID 59360578
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate
CID 58473820
2-(methylcarbamoyloxy)ethyl 2-methylbutanoate
CID 160943792
1-O-(1-adamantyl) 5-O-[2-(2-methylbutanoyloxy)ethyl] 2,2,3,3,4,4-hexafluoropentanedioate
CID 118909140
2-[2,2-bis[2-(2-methylbutanoyloxy)ethoxymethyl]butoxy]ethyl 2-methylbutanoate
CID 131979541

Frequently Asked Questions

What is the IUPAC name of 2-[2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl]oxyethyl 2-methylbutanoate?
The IUPAC name of 2-[2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl]oxyethyl 2-methylbutanoate (CID 168734523) is 2-[2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl]oxyethyl 2-methylbutanoate.
What is the SMILES notation for 2-[2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl]oxyethyl 2-methylbutanoate?
The canonical SMILES for 2-[2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl]oxyethyl 2-methylbutanoate is CCC(C)C(=O)OCCOC(=O)C(F)(OCF)C(F)(F)F.
What is the InChIKey of 2-[2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl]oxyethyl 2-methylbutanoate?
The InChIKey is WEBAHBFVXMBCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F5O5/c1-3-7(2)8(17)19-4-5-20-9(18)10(13,21-6-12)11(14,15)16/h7H,3-6H2,1-2H3.
What are the key properties of 2-[2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl]oxyethyl 2-methylbutanoate?
2-[2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl]oxyethyl 2-methylbutanoate has a molecular weight of 322.23 g/mol, XLogP of 2.29, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl]oxyethyl 2-methylbutanoate is sourced from PubChem (CID 168734523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).