3-cyclohexyl-1,2-dimethoxy-6-(trifluoromethyl)-1H-indene

C18H21F3O2 — CID 134982576

IUPAC3-cyclohexyl-1,2-dimethoxy-6-(trifluoromethyl)-1H-indene
SMILESCOC1=C(C2CCCCC2)c2ccc(C(F)(F)F)cc2C1OC
InChIInChI=1S/C18H21F3O2/c1-22-16-14-10-12(18(19,20)21)8-9-13(14)15(17(16)23-2)11-6-4-3-5-7-11/h8-11,16H,3-7H2,1-2H3
InChIKeyHLQMPQKPSPSHAL-UHFFFAOYSA-N
MW326.36 g/mol
LogP5.34
Rot. Bonds3

About 3-cyclohexyl-1,2-dimethoxy-6-(trifluoromethyl)-1H-indene

3-cyclohexyl-1,2-dimethoxy-6-(trifluoromethyl)-1H-indene (PubChem CID 134982576) has the molecular formula C18H21F3O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-cyclohexyl-1,2-dimethoxy-6-(trifluoromethyl)-1H-indene.

Molecular Properties

Compound Name3-cyclohexyl-1,2-dimethoxy-6-(trifluoromethyl)-1H-indene
PubChem CID134982576
Molecular FormulaC18H21F3O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name3-cyclohexyl-1,2-dimethoxy-6-(trifluoromethyl)-1H-indene
SMILESCOC1=C(C2CCCCC2)c2ccc(C(F)(F)F)cc2C1OC
InChIInChI=1S/C18H21F3O2/c1-22-16-14-10-12(18(19,20)21)8-9-13(14)15(17(16)23-2)11-6-4-3-5-7-11/h8-11,16H,3-7H2,1-2H3
InChIKeyHLQMPQKPSPSHAL-UHFFFAOYSA-N
XLogP5.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.36
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[4-Methyl-3-(trifluoromethyl)phenyl]oxirane
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CID 10884261
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CID 12153293
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CID 177851677
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CID 69960652
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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1,2-dimethoxy-6-(trifluoromethyl)-1H-indene?
The IUPAC name of 3-cyclohexyl-1,2-dimethoxy-6-(trifluoromethyl)-1H-indene (CID 134982576) is 3-cyclohexyl-1,2-dimethoxy-6-(trifluoromethyl)-1H-indene.
What is the SMILES notation for 3-cyclohexyl-1,2-dimethoxy-6-(trifluoromethyl)-1H-indene?
The canonical SMILES for 3-cyclohexyl-1,2-dimethoxy-6-(trifluoromethyl)-1H-indene is COC1=C(C2CCCCC2)c2ccc(C(F)(F)F)cc2C1OC.
What is the InChIKey of 3-cyclohexyl-1,2-dimethoxy-6-(trifluoromethyl)-1H-indene?
The InChIKey is HLQMPQKPSPSHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3O2/c1-22-16-14-10-12(18(19,20)21)8-9-13(14)15(17(16)23-2)11-6-4-3-5-7-11/h8-11,16H,3-7H2,1-2H3.
What are the key properties of 3-cyclohexyl-1,2-dimethoxy-6-(trifluoromethyl)-1H-indene?
3-cyclohexyl-1,2-dimethoxy-6-(trifluoromethyl)-1H-indene has a molecular weight of 326.36 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1,2-dimethoxy-6-(trifluoromethyl)-1H-indene is sourced from PubChem (CID 134982576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).