4,6,7-trifluoro-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene

C14H15F3O — CID 158433882

IUPAC4,6,7-trifluoro-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene
SMILESCC1=Cc2c(F)c(OC(C)(C)C)c(F)c(F)c2C1
InChIInChI=1S/C14H15F3O/c1-7-5-8-9(6-7)11(16)13(12(17)10(8)15)18-14(2,3)4/h6H,5H2,1-4H3
InChIKeyMDDCULFNRLTSKL-UHFFFAOYSA-N
MW256.27 g/mol
LogP4.24
Rot. Bonds1

About 4,6,7-trifluoro-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene

4,6,7-trifluoro-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene (PubChem CID 158433882) has the molecular formula C14H15F3O and a molecular weight of 256.27 g/mol. Its IUPAC name is 4,6,7-trifluoro-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene.

Molecular Properties

Compound Name4,6,7-trifluoro-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene
PubChem CID158433882
Molecular FormulaC14H15F3O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name4,6,7-trifluoro-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene
SMILESCC1=Cc2c(F)c(OC(C)(C)C)c(F)c(F)c2C1
InChIInChI=1S/C14H15F3O/c1-7-5-8-9(6-7)11(16)13(12(17)10(8)15)18-14(2,3)4/h6H,5H2,1-4H3
InChIKeyMDDCULFNRLTSKL-UHFFFAOYSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4,6,7-trifluoro-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene 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 4,6,7-trifluoro-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene?
The IUPAC name of 4,6,7-trifluoro-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene (CID 158433882) is 4,6,7-trifluoro-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene.
What is the SMILES notation for 4,6,7-trifluoro-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene?
The canonical SMILES for 4,6,7-trifluoro-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene is CC1=Cc2c(F)c(OC(C)(C)C)c(F)c(F)c2C1.
What is the InChIKey of 4,6,7-trifluoro-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene?
The InChIKey is MDDCULFNRLTSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O/c1-7-5-8-9(6-7)11(16)13(12(17)10(8)15)18-14(2,3)4/h6H,5H2,1-4H3.
What are the key properties of 4,6,7-trifluoro-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene?
4,6,7-trifluoro-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene has a molecular weight of 256.27 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trifluoro-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene is sourced from PubChem (CID 158433882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).