2-[2,2-difluoro-2-(fluoromethoxy)ethoxy]ethyl 2-methylbutanoate

C10H17F3O4 — CID 168734514

IUPAC2-[2,2-difluoro-2-(fluoromethoxy)ethoxy]ethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCCOCC(F)(F)OCF
InChIInChI=1S/C10H17F3O4/c1-3-8(2)9(14)16-5-4-15-6-10(12,13)17-7-11/h8H,3-7H2,1-2H3
InChIKeyIYQPKHLVRUSFFB-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.13
Rot. Bonds9

About 2-[2,2-difluoro-2-(fluoromethoxy)ethoxy]ethyl 2-methylbutanoate

2-[2,2-difluoro-2-(fluoromethoxy)ethoxy]ethyl 2-methylbutanoate (PubChem CID 168734514) has the molecular formula C10H17F3O4 and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-[2,2-difluoro-2-(fluoromethoxy)ethoxy]ethyl 2-methylbutanoate.

Molecular Properties

Compound Name2-[2,2-difluoro-2-(fluoromethoxy)ethoxy]ethyl 2-methylbutanoate
PubChem CID168734514
Molecular FormulaC10H17F3O4
Molecular Weight258.24 g/mol
Exact Mass258.11
IUPAC Name2-[2,2-difluoro-2-(fluoromethoxy)ethoxy]ethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCCOCC(F)(F)OCF
InChIInChI=1S/C10H17F3O4/c1-3-8(2)9(14)16-5-4-15-6-10(12,13)17-7-11/h8H,3-7H2,1-2H3
InChIKeyIYQPKHLVRUSFFB-UHFFFAOYSA-N
XLogP2.13
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl]oxyethyl 2-methylbutanoate
CID 168734523
2-[2,2-bis[2-(2-methylbutanoyloxy)ethoxymethyl]butoxy]ethyl 2-methylbutanoate
CID 131979541
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate
CID 58473820
2-ethoxyethyl (2R)-2-methylbutanoate
CID 59033497
[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methyl-3-oxopropyl] 2-methylbutanoate
CID 131967149
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,3-dioxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate
CID 170008807
methane;2-methoxyethyl 2-methylbutanoate
CID 165084023
3,3,4,4,5,5,6,6,6-nonafluorohexyl 2-methylbutanoate
CID 20727687
2-(2,2,2-trifluoroethoxy)ethyl 2-ethoxypropanoate
CID 88537702
[3-oxo-3-(2,2,2-trifluoroethoxy)propyl] 2-methylbutanoate
CID 59360578
propyl (2R)-2-methylbutanoate
CID 86306230
2-[2-(2,4-dimethyl-5-oxohexanoyl)oxyethoxy]ethyl 2,4-dimethyl-5-oxohexanoate
CID 118372663

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoro-2-(fluoromethoxy)ethoxy]ethyl 2-methylbutanoate?
The IUPAC name of 2-[2,2-difluoro-2-(fluoromethoxy)ethoxy]ethyl 2-methylbutanoate (CID 168734514) is 2-[2,2-difluoro-2-(fluoromethoxy)ethoxy]ethyl 2-methylbutanoate.
What is the SMILES notation for 2-[2,2-difluoro-2-(fluoromethoxy)ethoxy]ethyl 2-methylbutanoate?
The canonical SMILES for 2-[2,2-difluoro-2-(fluoromethoxy)ethoxy]ethyl 2-methylbutanoate is CCC(C)C(=O)OCCOCC(F)(F)OCF.
What is the InChIKey of 2-[2,2-difluoro-2-(fluoromethoxy)ethoxy]ethyl 2-methylbutanoate?
The InChIKey is IYQPKHLVRUSFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O4/c1-3-8(2)9(14)16-5-4-15-6-10(12,13)17-7-11/h8H,3-7H2,1-2H3.
What are the key properties of 2-[2,2-difluoro-2-(fluoromethoxy)ethoxy]ethyl 2-methylbutanoate?
2-[2,2-difluoro-2-(fluoromethoxy)ethoxy]ethyl 2-methylbutanoate has a molecular weight of 258.24 g/mol, XLogP of 2.13, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoro-2-(fluoromethoxy)ethoxy]ethyl 2-methylbutanoate is sourced from PubChem (CID 168734514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).