[1-methyl-7-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate

C15H15F3O2 — CID 89475123

IUPAC[1-methyl-7-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)CCc2cccc(C(F)(F)F)c21
InChIInChI=1S/C15H15F3O2/c1-9(2)13(19)20-14(3)8-7-10-5-4-6-11(12(10)14)15(16,17)18/h4-6H,1,7-8H2,2-3H3
InChIKeySLXNBNGVCDUUGI-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.99
Rot. Bonds2

About [1-methyl-7-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate

[1-methyl-7-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate (PubChem CID 89475123) has the molecular formula C15H15F3O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is [1-methyl-7-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-methyl-7-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate
PubChem CID89475123
Molecular FormulaC15H15F3O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC Name[1-methyl-7-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)CCc2cccc(C(F)(F)F)c21
InChIInChI=1S/C15H15F3O2/c1-9(2)13(19)20-14(3)8-7-10-5-4-6-11(12(10)14)15(16,17)18/h4-6H,1,7-8H2,2-3H3
InChIKeySLXNBNGVCDUUGI-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [1-methyl-7-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-methyl-7-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate?
The IUPAC name of [1-methyl-7-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate (CID 89475123) is [1-methyl-7-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-methyl-7-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate?
The canonical SMILES for [1-methyl-7-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C)CCc2cccc(C(F)(F)F)c21.
What is the InChIKey of [1-methyl-7-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate?
The InChIKey is SLXNBNGVCDUUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3O2/c1-9(2)13(19)20-14(3)8-7-10-5-4-6-11(12(10)14)15(16,17)18/h4-6H,1,7-8H2,2-3H3.
What are the key properties of [1-methyl-7-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate?
[1-methyl-7-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate has a molecular weight of 284.28 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-7-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 89475123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).