bis(2,2,2-trifluoroethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate

C11H10F6O4 — CID 102305684

IUPACbis(2,2,2-trifluoroethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
SMILESCC1(C)C(C(=O)OCC(F)(F)F)=C1C(=O)OCC(F)(F)F
InChIInChI=1S/C11H10F6O4/c1-9(2)5(7(18)20-3-10(12,13)14)6(9)8(19)21-4-11(15,16)17/h3-4H2,1-2H3
InChIKeyNMBUUCHTNIUUGJ-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.53
Rot. Bonds4

About bis(2,2,2-trifluoroethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate

bis(2,2,2-trifluoroethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate (PubChem CID 102305684) has the molecular formula C11H10F6O4 and a molecular weight of 320.19 g/mol. Its IUPAC name is bis(2,2,2-trifluoroethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate.

Molecular Properties

Compound Namebis(2,2,2-trifluoroethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
PubChem CID102305684
Molecular FormulaC11H10F6O4
Molecular Weight320.19 g/mol
Exact Mass320.05
IUPAC Namebis(2,2,2-trifluoroethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
SMILESCC1(C)C(C(=O)OCC(F)(F)F)=C1C(=O)OCC(F)(F)F
InChIInChI=1S/C11H10F6O4/c1-9(2)5(7(18)20-3-10(12,13)14)6(9)8(19)21-4-11(15,16)17/h3-4H2,1-2H3
InChIKeyNMBUUCHTNIUUGJ-UHFFFAOYSA-N
XLogP2.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Cyclopropene-1,2-dicarboxylic acid, 3,3-dimethyl-, dimethyl ester
CID 11816262
2,2,3,3,4,4,5,5-Octafluoropentyl 2-tert-butyl-3-methylbut-2-enoate
CID 89107813
Bis(2-methoxyethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10956648
1-O-methyl 2-O-prop-2-enyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 11745884
Dipropyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 11746732
Diethyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 86198726
2-O-(3-methoxy-2,2-dimethyl-3-oxopropyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10859024
2-O-(2-methoxyethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10998750
Bis(prop-2-ynyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 11806522
Dimethyl 3,3-diethylcyclopropene-1,2-dicarboxylate
CID 14338869
1-O-methyl 2-O-prop-2-ynyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 102305685

Frequently Asked Questions

What is the IUPAC name of bis(2,2,2-trifluoroethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The IUPAC name of bis(2,2,2-trifluoroethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate (CID 102305684) is bis(2,2,2-trifluoroethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate.
What is the SMILES notation for bis(2,2,2-trifluoroethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The canonical SMILES for bis(2,2,2-trifluoroethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate is CC1(C)C(C(=O)OCC(F)(F)F)=C1C(=O)OCC(F)(F)F.
What is the InChIKey of bis(2,2,2-trifluoroethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The InChIKey is NMBUUCHTNIUUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6O4/c1-9(2)5(7(18)20-3-10(12,13)14)6(9)8(19)21-4-11(15,16)17/h3-4H2,1-2H3.
What are the key properties of bis(2,2,2-trifluoroethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate?
bis(2,2,2-trifluoroethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate has a molecular weight of 320.19 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,2-trifluoroethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate is sourced from PubChem (CID 102305684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).