methyl 2-[2-(2,2-dimethylpropoxy)-3,3,3-trifluoro-2-methylpropoxy]-3,3,3-trifluoro-2-methylpropanoate

C14H22F6O4 — CID 58140414

IUPACmethyl 2-[2-(2,2-dimethylpropoxy)-3,3,3-trifluoro-2-methylpropoxy]-3,3,3-trifluoro-2-methylpropanoate
SMILESCOC(=O)C(C)(OCC(C)(OCC(C)(C)C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H22F6O4/c1-10(2,3)7-23-11(4,13(15,16)17)8-24-12(5,9(21)22-6)14(18,19)20/h7-8H2,1-6H3
InChIKeyOQOXAGJIMGGTJR-UHFFFAOYSA-N
MW368.31 g/mol
LogP3.88
Rot. Bonds6

About methyl 2-[2-(2,2-dimethylpropoxy)-3,3,3-trifluoro-2-methylpropoxy]-3,3,3-trifluoro-2-methylpropanoate

methyl 2-[2-(2,2-dimethylpropoxy)-3,3,3-trifluoro-2-methylpropoxy]-3,3,3-trifluoro-2-methylpropanoate (PubChem CID 58140414) has the molecular formula C14H22F6O4 and a molecular weight of 368.31 g/mol. Its IUPAC name is methyl 2-[2-(2,2-dimethylpropoxy)-3,3,3-trifluoro-2-methylpropoxy]-3,3,3-trifluoro-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[2-(2,2-dimethylpropoxy)-3,3,3-trifluoro-2-methylpropoxy]-3,3,3-trifluoro-2-methylpropanoate
PubChem CID58140414
Molecular FormulaC14H22F6O4
Molecular Weight368.31 g/mol
Exact Mass368.14
IUPAC Namemethyl 2-[2-(2,2-dimethylpropoxy)-3,3,3-trifluoro-2-methylpropoxy]-3,3,3-trifluoro-2-methylpropanoate
SMILESCOC(=O)C(C)(OCC(C)(OCC(C)(C)C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H22F6O4/c1-10(2,3)7-23-11(4,13(15,16)17)8-24-12(5,9(21)22-6)14(18,19)20/h7-8H2,1-6H3
InChIKeyOQOXAGJIMGGTJR-UHFFFAOYSA-N
XLogP3.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[2-(2,2-dimethylpropoxy)-3,3,3-trifluoro-2-methylpropoxy]-3,3,3-trifluoro-2-methylpropanoate with MolForge

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Related Compounds

Ethyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
CID 2782595
Ethyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
CID 12751209
Butyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
CID 15038809
Propyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
CID 15938552
Butan-2-yl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
CID 10120121
Butan-2-yl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
CID 10134714
3,3-Dimethylbutan-2-yl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
CID 13638520
Propyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
CID 15038808
2-Methylpropyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
CID 15269880
Propan-2-yl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
CID 15938553
Butyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
CID 15938554
2-Methylpropyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
CID 71672639

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2,2-dimethylpropoxy)-3,3,3-trifluoro-2-methylpropoxy]-3,3,3-trifluoro-2-methylpropanoate?
The IUPAC name of methyl 2-[2-(2,2-dimethylpropoxy)-3,3,3-trifluoro-2-methylpropoxy]-3,3,3-trifluoro-2-methylpropanoate (CID 58140414) is methyl 2-[2-(2,2-dimethylpropoxy)-3,3,3-trifluoro-2-methylpropoxy]-3,3,3-trifluoro-2-methylpropanoate.
What is the SMILES notation for methyl 2-[2-(2,2-dimethylpropoxy)-3,3,3-trifluoro-2-methylpropoxy]-3,3,3-trifluoro-2-methylpropanoate?
The canonical SMILES for methyl 2-[2-(2,2-dimethylpropoxy)-3,3,3-trifluoro-2-methylpropoxy]-3,3,3-trifluoro-2-methylpropanoate is COC(=O)C(C)(OCC(C)(OCC(C)(C)C)C(F)(F)F)C(F)(F)F.
What is the InChIKey of methyl 2-[2-(2,2-dimethylpropoxy)-3,3,3-trifluoro-2-methylpropoxy]-3,3,3-trifluoro-2-methylpropanoate?
The InChIKey is OQOXAGJIMGGTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F6O4/c1-10(2,3)7-23-11(4,13(15,16)17)8-24-12(5,9(21)22-6)14(18,19)20/h7-8H2,1-6H3.
What are the key properties of methyl 2-[2-(2,2-dimethylpropoxy)-3,3,3-trifluoro-2-methylpropoxy]-3,3,3-trifluoro-2-methylpropanoate?
methyl 2-[2-(2,2-dimethylpropoxy)-3,3,3-trifluoro-2-methylpropoxy]-3,3,3-trifluoro-2-methylpropanoate has a molecular weight of 368.31 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2,2-dimethylpropoxy)-3,3,3-trifluoro-2-methylpropoxy]-3,3,3-trifluoro-2-methylpropanoate is sourced from PubChem (CID 58140414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).