2,2,2-trifluoroethyl 2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate

C10H11F3O4 — CID 175355306

IUPAC2,2,2-trifluoroethyl 2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate
SMILESC=C(C)C(=O)OC=C(C)C(=O)OCC(F)(F)F
InChIInChI=1S/C10H11F3O4/c1-6(2)8(14)16-4-7(3)9(15)17-5-10(11,12)13/h4H,1,5H2,2-3H3
InChIKeyXRIBIJLVHLESPN-UHFFFAOYSA-N
MW252.19 g/mol
LogP2.12
Rot. Bonds4

About 2,2,2-trifluoroethyl 2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate

2,2,2-trifluoroethyl 2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate (PubChem CID 175355306) has the molecular formula C10H11F3O4 and a molecular weight of 252.19 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate
PubChem CID175355306
Molecular FormulaC10H11F3O4
Molecular Weight252.19 g/mol
Exact Mass252.06
IUPAC Name2,2,2-trifluoroethyl 2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate
SMILESC=C(C)C(=O)OC=C(C)C(=O)OCC(F)(F)F
InChIInChI=1S/C10H11F3O4/c1-6(2)8(14)16-4-7(3)9(15)17-5-10(11,12)13/h4H,1,5H2,2-3H3
InChIKeyXRIBIJLVHLESPN-UHFFFAOYSA-N
XLogP2.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate?
The IUPAC name of 2,2,2-trifluoroethyl 2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate (CID 175355306) is 2,2,2-trifluoroethyl 2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate.
What is the SMILES notation for 2,2,2-trifluoroethyl 2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate?
The canonical SMILES for 2,2,2-trifluoroethyl 2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate is C=C(C)C(=O)OC=C(C)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl 2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate?
The InChIKey is XRIBIJLVHLESPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O4/c1-6(2)8(14)16-4-7(3)9(15)17-5-10(11,12)13/h4H,1,5H2,2-3H3.
What are the key properties of 2,2,2-trifluoroethyl 2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate?
2,2,2-trifluoroethyl 2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate has a molecular weight of 252.19 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate is sourced from PubChem (CID 175355306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).