1,2-dimethoxy-3-methyl-5-(trifluoromethyl)-1H-indene

C13H13F3O2 — CID 134993552

IUPAC1,2-dimethoxy-3-methyl-5-(trifluoromethyl)-1H-indene
SMILESCOC1=C(C)c2cc(C(F)(F)F)ccc2C1OC
InChIInChI=1S/C13H13F3O2/c1-7-10-6-8(13(14,15)16)4-5-9(10)12(18-3)11(7)17-2/h4-6,12H,1-3H3
InChIKeyWHLPTZKMRDESAL-UHFFFAOYSA-N
MW258.24 g/mol
LogP3.78
Rot. Bonds2

About 1,2-dimethoxy-3-methyl-5-(trifluoromethyl)-1H-indene

1,2-dimethoxy-3-methyl-5-(trifluoromethyl)-1H-indene (PubChem CID 134993552) has the molecular formula C13H13F3O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is 1,2-dimethoxy-3-methyl-5-(trifluoromethyl)-1H-indene.

Molecular Properties

Compound Name1,2-dimethoxy-3-methyl-5-(trifluoromethyl)-1H-indene
PubChem CID134993552
Molecular FormulaC13H13F3O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Name1,2-dimethoxy-3-methyl-5-(trifluoromethyl)-1H-indene
SMILESCOC1=C(C)c2cc(C(F)(F)F)ccc2C1OC
InChIInChI=1S/C13H13F3O2/c1-7-10-6-8(13(14,15)16)4-5-9(10)12(18-3)11(7)17-2/h4-6,12H,1-3H3
InChIKeyWHLPTZKMRDESAL-UHFFFAOYSA-N
XLogP3.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 12153293
1-[1-(Ethenyloxy)but-2-yn-1-yl]-4-(trifluoromethyl)benzene
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2-[4-(Trifluoromethyl)phenyl]tetrahydrofuran
CID 72665644
(1S)-1-ethenyl-7-(trifluoromethyl)-3,4-dihydro-1H-isochromene
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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-3-methyl-5-(trifluoromethyl)-1H-indene?
The IUPAC name of 1,2-dimethoxy-3-methyl-5-(trifluoromethyl)-1H-indene (CID 134993552) is 1,2-dimethoxy-3-methyl-5-(trifluoromethyl)-1H-indene.
What is the SMILES notation for 1,2-dimethoxy-3-methyl-5-(trifluoromethyl)-1H-indene?
The canonical SMILES for 1,2-dimethoxy-3-methyl-5-(trifluoromethyl)-1H-indene is COC1=C(C)c2cc(C(F)(F)F)ccc2C1OC.
What is the InChIKey of 1,2-dimethoxy-3-methyl-5-(trifluoromethyl)-1H-indene?
The InChIKey is WHLPTZKMRDESAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O2/c1-7-10-6-8(13(14,15)16)4-5-9(10)12(18-3)11(7)17-2/h4-6,12H,1-3H3.
What are the key properties of 1,2-dimethoxy-3-methyl-5-(trifluoromethyl)-1H-indene?
1,2-dimethoxy-3-methyl-5-(trifluoromethyl)-1H-indene has a molecular weight of 258.24 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-3-methyl-5-(trifluoromethyl)-1H-indene is sourced from PubChem (CID 134993552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).