[1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate

C17H19F3O2 — CID 89475133

IUPAC[1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C(C)C)CCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H19F3O2/c1-10(2)15(21)22-16(11(3)4)8-7-12-5-6-13(9-14(12)16)17(18,19)20/h5-6,9,11H,1,7-8H2,2-4H3
InChIKeyJWIROMICJFHVRP-UHFFFAOYSA-N
MW312.33 g/mol
LogP4.62
Rot. Bonds3

About [1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate

[1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate (PubChem CID 89475133) has the molecular formula C17H19F3O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is [1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate
PubChem CID89475133
Molecular FormulaC17H19F3O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name[1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C(C)C)CCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H19F3O2/c1-10(2)15(21)22-16(11(3)4)8-7-12-5-6-13(9-14(12)16)17(18,19)20/h5-6,9,11H,1,7-8H2,2-4H3
InChIKeyJWIROMICJFHVRP-UHFFFAOYSA-N
XLogP4.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [1-propan-2-yl-6-(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

Related Compounds

1,4-Dimethylindanyl acetate
CID 590282
methyl (3Z)-3-(3-methoxy-2-methyl-2,3-dihydroinden-1-ylidene)propanoate
CID 16759097
[(3Z)-3-[(2R,3S)-5-fluoro-3-methoxy-2-methyl-2,3-dihydroinden-1-ylidene]propyl] (E)-4-phenylbut-3-enoate
CID 24867738
3-[(2R,3S)-5-fluoro-3-methoxy-2-methyl-2,3-dihydroinden-1-ylidene]propyl 4-phenylbut-3-enoate
CID 49858967
methyl (2S,3S)-3-methyl-1-oxo-2-(2,2,2-trifluoroethyl)-2,3-dihydroindene-5-carboxylate
CID 139187748
[7-[3,5-Bis(trifluoromethyl)phenyl]-7-bicyclo[2.2.1]heptanyl] acetate
CID 301025
methyl (3Z)-3-[(2S,3R)-3-methoxy-2-methyl-2,3-dihydroinden-1-ylidene]propanoate
CID 16758531
methyl (E)-3-(3-methoxy-2-methyl-2,3-dihydro-1H-inden-1-yl)prop-2-enoate
CID 16759099
methyl 3-[(2R,3S)-5-fluoro-3-methoxy-2-methyl-2,3-dihydroinden-1-ylidene]propanoate
CID 49859014
2-Fluorenemethanol, trifluoroacetate ester
CID 91727200
2-(3,4-Dimethylphenyl)-hexafluoro-2-propyl alpha-fluoroacrylate
CID 13980933
trans-(2-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-1-yl) (1R,3R)-3-[(E)-3-ethoxy-2-fluoro-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 18649604

Frequently Asked Questions

What is the IUPAC name of [1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate?
The IUPAC name of [1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate (CID 89475133) is [1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate?
The canonical SMILES for [1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C(C)C)CCc2ccc(C(F)(F)F)cc21.
What is the InChIKey of [1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate?
The InChIKey is JWIROMICJFHVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3O2/c1-10(2)15(21)22-16(11(3)4)8-7-12-5-6-13(9-14(12)16)17(18,19)20/h5-6,9,11H,1,7-8H2,2-4H3.
What are the key properties of [1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate?
[1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate has a molecular weight of 312.33 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroinden-1-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 89475133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).