[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl] 2-methyl-2-(trifluoromethyl)butanoate

C11H11F9O4 — CID 135139140

IUPAC[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl] 2-methyl-2-(trifluoromethyl)butanoate
SMILESCCC(C)(C(=O)OCC(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H11F9O4/c1-3-8(2,11(18,19)20)7(22)23-4-5(21)24-6(9(12,13)14)10(15,16)17/h6H,3-4H2,1-2H3
InChIKeyXAVIUOZRAQTQIB-UHFFFAOYSA-N
MW378.19 g/mol
LogP3.54
Rot. Bonds5

About [2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl] 2-methyl-2-(trifluoromethyl)butanoate

[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl] 2-methyl-2-(trifluoromethyl)butanoate (PubChem CID 135139140) has the molecular formula C11H11F9O4 and a molecular weight of 378.19 g/mol. Its IUPAC name is [2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl] 2-methyl-2-(trifluoromethyl)butanoate.

Molecular Properties

Compound Name[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl] 2-methyl-2-(trifluoromethyl)butanoate
PubChem CID135139140
Molecular FormulaC11H11F9O4
Molecular Weight378.19 g/mol
Exact Mass378.05
IUPAC Name[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl] 2-methyl-2-(trifluoromethyl)butanoate
SMILESCCC(C)(C(=O)OCC(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H11F9O4/c1-3-8(2,11(18,19)20)7(22)23-4-5(21)24-6(9(12,13)14)10(15,16)17/h6H,3-4H2,1-2H3
InChIKeyXAVIUOZRAQTQIB-UHFFFAOYSA-N
XLogP3.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.19
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl] 2-methyl-2-(trifluoromethyl)butanoate with MolForge

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Related Compounds

1,1,1,3-tetrafluoropropan-2-yl 2-methyl-2-(trifluoromethyl)butanoate
CID 58789609
2,2,2-trifluoroethyl 2-methyl-2-(trifluoromethyl)butanoate
CID 23594538
1-fluoroethyl 2-methyl-2-(trifluoromethyl)butanoate
CID 88981405
3-methylbutan-2-yl 2-methyl-2-(trifluoromethyl)butanoate
CID 59594152
methyl 2-methyl-2-(trifluoromethyl)butanoate
CID 20742589
pentyl 2-methyl-2-(trifluoromethyl)butanoate
CID 59126240
[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl] 2-(trifluoromethyl)prop-2-enoate
CID 134465608
[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl] 2-[4-(2,5,5-trimethylhexan-3-yl)phenyl]propanoate
CID 123274269
1-O-(4,4-dimethylhexanoyloxymethyl) 3-O-(1,1,1,3,3,3-hexafluoropropan-2-yl) propanedioate
CID 89030920
1,1,1,3,3,3-hexafluoropropan-2-yl 3-methylbutanoate
CID 162592800
[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl] 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
CID 89115671
1,1,1,3,3,3-hexafluoropropan-2-yl 2-hexyldecanoate
CID 146607097

Frequently Asked Questions

What is the IUPAC name of [2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl] 2-methyl-2-(trifluoromethyl)butanoate?
The IUPAC name of [2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl] 2-methyl-2-(trifluoromethyl)butanoate (CID 135139140) is [2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl] 2-methyl-2-(trifluoromethyl)butanoate.
What is the SMILES notation for [2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl] 2-methyl-2-(trifluoromethyl)butanoate?
The canonical SMILES for [2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl] 2-methyl-2-(trifluoromethyl)butanoate is CCC(C)(C(=O)OCC(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of [2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl] 2-methyl-2-(trifluoromethyl)butanoate?
The InChIKey is XAVIUOZRAQTQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F9O4/c1-3-8(2,11(18,19)20)7(22)23-4-5(21)24-6(9(12,13)14)10(15,16)17/h6H,3-4H2,1-2H3.
What are the key properties of [2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl] 2-methyl-2-(trifluoromethyl)butanoate?
[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl] 2-methyl-2-(trifluoromethyl)butanoate has a molecular weight of 378.19 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl] 2-methyl-2-(trifluoromethyl)butanoate is sourced from PubChem (CID 135139140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).