(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2,2-trifluoroacetate

C7H5F3O5 — CID 175255712

IUPAC(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2,2-trifluoroacetate
SMILESCc1oc(=O)oc1COC(=O)C(F)(F)F
InChIInChI=1S/C7H5F3O5/c1-3-4(15-6(12)14-3)2-13-5(11)7(8,9)10/h2H2,1H3
InChIKeyRPKOOCHHHNZFBK-UHFFFAOYSA-N
MW226.11 g/mol
LogP1.15
Rot. Bonds2

About (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2,2-trifluoroacetate

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2,2-trifluoroacetate (PubChem CID 175255712) has the molecular formula C7H5F3O5 and a molecular weight of 226.11 g/mol. Its IUPAC name is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2,2-trifluoroacetate
PubChem CID175255712
Molecular FormulaC7H5F3O5
Molecular Weight226.11 g/mol
Exact Mass226.01
IUPAC Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2,2-trifluoroacetate
SMILESCc1oc(=O)oc1COC(=O)C(F)(F)F
InChIInChI=1S/C7H5F3O5/c1-3-4(15-6(12)14-3)2-13-5(11)7(8,9)10/h2H2,1H3
InChIKeyRPKOOCHHHNZFBK-UHFFFAOYSA-N
XLogP1.15
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.11
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2,2-trifluoroacetate?
The IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2,2-trifluoroacetate (CID 175255712) is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2,2-trifluoroacetate.
What is the SMILES notation for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2,2-trifluoroacetate?
The canonical SMILES for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2,2-trifluoroacetate is Cc1oc(=O)oc1COC(=O)C(F)(F)F.
What is the InChIKey of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2,2-trifluoroacetate?
The InChIKey is RPKOOCHHHNZFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3O5/c1-3-4(15-6(12)14-3)2-13-5(11)7(8,9)10/h2H2,1H3.
What are the key properties of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2,2-trifluoroacetate?
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2,2-trifluoroacetate has a molecular weight of 226.11 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 175255712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).