styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate

C14H15F3O2 — CID 155166216

IUPACstyrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(F)(F)F.C=Cc1ccccc1
InChIInChI=1S/C8H8.C6H7F3O2/c1-2-8-6-4-3-5-7-8;1-4(2)5(10)11-3-6(7,8)9/h2-7H,1H2;1,3H2,2H3
InChIKeyZBGUNRJZURAKAR-UHFFFAOYSA-N
MW272.27 g/mol
LogP4.00
Rot. Bonds3

About styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate

styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate (PubChem CID 155166216) has the molecular formula C14H15F3O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namestyrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate
PubChem CID155166216
Molecular FormulaC14H15F3O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Namestyrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(F)(F)F.C=Cc1ccccc1
InChIInChI=1S/C8H8.C6H7F3O2/c1-2-8-6-4-3-5-7-8;1-4(2)5(10)11-3-6(7,8)9/h2-7H,1H2;1,3H2,2H3
InChIKeyZBGUNRJZURAKAR-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate?
The IUPAC name of styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate (CID 155166216) is styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate.
What is the SMILES notation for styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate?
The canonical SMILES for styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(F)(F)F.C=Cc1ccccc1.
What is the InChIKey of styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate?
The InChIKey is ZBGUNRJZURAKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C6H7F3O2/c1-2-8-6-4-3-5-7-8;1-4(2)5(10)11-3-6(7,8)9/h2-7H,1H2;1,3H2,2H3.
What are the key properties of styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate?
styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate has a molecular weight of 272.27 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate is sourced from PubChem (CID 155166216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).