[2-(difluoromethoxy)-2,2-difluoroethyl] 2-(2,2-dimethylpropanoyloxymethyl)-3-methoxy-2-methylpropanoate

C14H22F4O6 — CID 131997571

IUPAC[2-(difluoromethoxy)-2,2-difluoroethyl] 2-(2,2-dimethylpropanoyloxymethyl)-3-methoxy-2-methylpropanoate
SMILESCOCC(C)(COC(=O)C(C)(C)C)C(=O)OCC(F)(F)OC(F)F
InChIInChI=1S/C14H22F4O6/c1-12(2,3)9(19)22-7-13(4,6-21-5)10(20)23-8-14(17,18)24-11(15)16/h11H,6-8H2,1-5H3
InChIKeyXCVXEOYJWZNKHE-UHFFFAOYSA-N
MW362.32 g/mol
LogP2.60
Rot. Bonds9

About [2-(difluoromethoxy)-2,2-difluoroethyl] 2-(2,2-dimethylpropanoyloxymethyl)-3-methoxy-2-methylpropanoate

[2-(difluoromethoxy)-2,2-difluoroethyl] 2-(2,2-dimethylpropanoyloxymethyl)-3-methoxy-2-methylpropanoate (PubChem CID 131997571) has the molecular formula C14H22F4O6 and a molecular weight of 362.32 g/mol. Its IUPAC name is [2-(difluoromethoxy)-2,2-difluoroethyl] 2-(2,2-dimethylpropanoyloxymethyl)-3-methoxy-2-methylpropanoate.

Molecular Properties

Compound Name[2-(difluoromethoxy)-2,2-difluoroethyl] 2-(2,2-dimethylpropanoyloxymethyl)-3-methoxy-2-methylpropanoate
PubChem CID131997571
Molecular FormulaC14H22F4O6
Molecular Weight362.32 g/mol
Exact Mass362.14
IUPAC Name[2-(difluoromethoxy)-2,2-difluoroethyl] 2-(2,2-dimethylpropanoyloxymethyl)-3-methoxy-2-methylpropanoate
SMILESCOCC(C)(COC(=O)C(C)(C)C)C(=O)OCC(F)(F)OC(F)F
InChIInChI=1S/C14H22F4O6/c1-12(2,3)9(19)22-7-13(4,6-21-5)10(20)23-8-14(17,18)24-11(15)16/h11H,6-8H2,1-5H3
InChIKeyXCVXEOYJWZNKHE-UHFFFAOYSA-N
XLogP2.60
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(difluoromethoxy)-2,2-difluoroethyl] 2-(2,2-dimethylpropanoyloxymethyl)-3-methoxy-2-methylpropanoate with MolForge

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Related Compounds

Dimethylmalonic acid, 2,2,3,3,3-pentafluoropropyl pentyl ester
CID 91691369
Dimethylmalonic acid, pentyl 2,2,3,3-tetrafluoropropyl ester
CID 91691978
2-[2-(2-Ethoxyethoxy)ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate
CID 91692315
Dimethylmalonic acid, isobutyl 2,2,3,3,3-pentafluoropropyl ester
CID 91692857
Dimethylmalonic acid, butyl 2,2,3,3,3-pentafluoropropyl ester
CID 91692858
Dimethylmalonic acid, butyl 2,2,3,4,4,4-hexafluorobutyl ester
CID 91692859
Dimethylmalonic acid, 2,2,3,4,4,4-hexafluorobutyl isobutyl ester
CID 91692876
Dimethylmalonic acid, butyl 2,2,3,3-tetrafluoropropyl ester
CID 91693648
Tetraethylene glycol monomethyl ether, pentafluoropropionate
CID 91694239
2-[2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate
CID 91694240
Dimethylmalonic acid, di(2,2,3,3-tetrafluoropropyl) ester
CID 91726183
Dimethylmalonic acid, di(2,2,3,4,4,4-hexafluorobutyl) ester
CID 91735807

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)-2,2-difluoroethyl] 2-(2,2-dimethylpropanoyloxymethyl)-3-methoxy-2-methylpropanoate?
The IUPAC name of [2-(difluoromethoxy)-2,2-difluoroethyl] 2-(2,2-dimethylpropanoyloxymethyl)-3-methoxy-2-methylpropanoate (CID 131997571) is [2-(difluoromethoxy)-2,2-difluoroethyl] 2-(2,2-dimethylpropanoyloxymethyl)-3-methoxy-2-methylpropanoate.
What is the SMILES notation for [2-(difluoromethoxy)-2,2-difluoroethyl] 2-(2,2-dimethylpropanoyloxymethyl)-3-methoxy-2-methylpropanoate?
The canonical SMILES for [2-(difluoromethoxy)-2,2-difluoroethyl] 2-(2,2-dimethylpropanoyloxymethyl)-3-methoxy-2-methylpropanoate is COCC(C)(COC(=O)C(C)(C)C)C(=O)OCC(F)(F)OC(F)F.
What is the InChIKey of [2-(difluoromethoxy)-2,2-difluoroethyl] 2-(2,2-dimethylpropanoyloxymethyl)-3-methoxy-2-methylpropanoate?
The InChIKey is XCVXEOYJWZNKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F4O6/c1-12(2,3)9(19)22-7-13(4,6-21-5)10(20)23-8-14(17,18)24-11(15)16/h11H,6-8H2,1-5H3.
What are the key properties of [2-(difluoromethoxy)-2,2-difluoroethyl] 2-(2,2-dimethylpropanoyloxymethyl)-3-methoxy-2-methylpropanoate?
[2-(difluoromethoxy)-2,2-difluoroethyl] 2-(2,2-dimethylpropanoyloxymethyl)-3-methoxy-2-methylpropanoate has a molecular weight of 362.32 g/mol, XLogP of 2.60, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)-2,2-difluoroethyl] 2-(2,2-dimethylpropanoyloxymethyl)-3-methoxy-2-methylpropanoate is sourced from PubChem (CID 131997571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).