methyl 2-[5-methoxy-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]acetate

C10H12F6O5 — CID 91482636

IUPACmethyl 2-[5-methoxy-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]acetate
SMILESCOC(=O)CC1(C)OC(C(F)(F)F)(C(F)(F)F)OC1OC
InChIInChI=1S/C10H12F6O5/c1-7(4-5(17)18-2)6(19-3)20-8(21-7,9(11,12)13)10(14,15)16/h6H,4H2,1-3H3
InChIKeySORFNKXSHHMMTJ-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.15
Rot. Bonds3

About methyl 2-[5-methoxy-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]acetate

methyl 2-[5-methoxy-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]acetate (PubChem CID 91482636) has the molecular formula C10H12F6O5 and a molecular weight of 326.19 g/mol. Its IUPAC name is methyl 2-[5-methoxy-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-methoxy-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]acetate
PubChem CID91482636
Molecular FormulaC10H12F6O5
Molecular Weight326.19 g/mol
Exact Mass326.06
IUPAC Namemethyl 2-[5-methoxy-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]acetate
SMILESCOC(=O)CC1(C)OC(C(F)(F)F)(C(F)(F)F)OC1OC
InChIInChI=1S/C10H12F6O5/c1-7(4-5(17)18-2)6(19-3)20-8(21-7,9(11,12)13)10(14,15)16/h6H,4H2,1-3H3
InChIKeySORFNKXSHHMMTJ-UHFFFAOYSA-N
XLogP2.15
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-methoxy-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]acetate?
The IUPAC name of methyl 2-[5-methoxy-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]acetate (CID 91482636) is methyl 2-[5-methoxy-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]acetate.
What is the SMILES notation for methyl 2-[5-methoxy-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]acetate?
The canonical SMILES for methyl 2-[5-methoxy-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]acetate is COC(=O)CC1(C)OC(C(F)(F)F)(C(F)(F)F)OC1OC.
What is the InChIKey of methyl 2-[5-methoxy-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]acetate?
The InChIKey is SORFNKXSHHMMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6O5/c1-7(4-5(17)18-2)6(19-3)20-8(21-7,9(11,12)13)10(14,15)16/h6H,4H2,1-3H3.
What are the key properties of methyl 2-[5-methoxy-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]acetate?
methyl 2-[5-methoxy-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]acetate has a molecular weight of 326.19 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-methoxy-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]acetate is sourced from PubChem (CID 91482636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).