5-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-isochromene

C11H13F3O — CID 69485206

IUPAC5-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-isochromene
SMILESCC1C2=C(CCC1C(F)(F)F)COC=C2
InChIInChI=1S/C11H13F3O/c1-7-9-4-5-15-6-8(9)2-3-10(7)11(12,13)14/h4-5,7,10H,2-3,6H2,1H3
InChIKeyIAAKISYNVPPWRA-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.44
Rot. Bonds

About 5-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-isochromene

5-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-isochromene (PubChem CID 69485206) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is 5-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-isochromene.

Molecular Properties

Compound Name5-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-isochromene
PubChem CID69485206
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name5-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-isochromene
SMILESCC1C2=C(CCC1C(F)(F)F)COC=C2
InChIInChI=1S/C11H13F3O/c1-7-9-4-5-15-6-8(9)2-3-10(7)11(12,13)14/h4-5,7,10H,2-3,6H2,1H3
InChIKeyIAAKISYNVPPWRA-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-isochromene?
The IUPAC name of 5-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-isochromene (CID 69485206) is 5-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-isochromene.
What is the SMILES notation for 5-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-isochromene?
The canonical SMILES for 5-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-isochromene is CC1C2=C(CCC1C(F)(F)F)COC=C2.
What is the InChIKey of 5-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-isochromene?
The InChIKey is IAAKISYNVPPWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O/c1-7-9-4-5-15-6-8(9)2-3-10(7)11(12,13)14/h4-5,7,10H,2-3,6H2,1H3.
What are the key properties of 5-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-isochromene?
5-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-isochromene has a molecular weight of 218.22 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-isochromene is sourced from PubChem (CID 69485206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).