7a-methyl-2-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-1H-inden-2-ol

C11H17F3O — CID 59331059

IUPAC7a-methyl-2-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-1H-inden-2-ol
SMILESCC12CCCCC1CC(O)(C(F)(F)F)C2
InChIInChI=1S/C11H17F3O/c1-9-5-3-2-4-8(9)6-10(15,7-9)11(12,13)14/h8,15H,2-7H2,1H3
InChIKeyMAEPVSUFBQPABD-UHFFFAOYSA-N
MW222.25 g/mol
LogP3.27
Rot. Bonds

About 7a-methyl-2-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-1H-inden-2-ol

7a-methyl-2-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-1H-inden-2-ol (PubChem CID 59331059) has the molecular formula C11H17F3O and a molecular weight of 222.25 g/mol. Its IUPAC name is 7a-methyl-2-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-1H-inden-2-ol.

Molecular Properties

Compound Name7a-methyl-2-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-1H-inden-2-ol
PubChem CID59331059
Molecular FormulaC11H17F3O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name7a-methyl-2-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-1H-inden-2-ol
SMILESCC12CCCCC1CC(O)(C(F)(F)F)C2
InChIInChI=1S/C11H17F3O/c1-9-5-3-2-4-8(9)6-10(15,7-9)11(12,13)14/h8,15H,2-7H2,1H3
InChIKeyMAEPVSUFBQPABD-UHFFFAOYSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7a-methyl-2-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-1H-inden-2-ol?
The IUPAC name of 7a-methyl-2-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-1H-inden-2-ol (CID 59331059) is 7a-methyl-2-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-1H-inden-2-ol.
What is the SMILES notation for 7a-methyl-2-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-1H-inden-2-ol?
The canonical SMILES for 7a-methyl-2-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-1H-inden-2-ol is CC12CCCCC1CC(O)(C(F)(F)F)C2.
What is the InChIKey of 7a-methyl-2-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-1H-inden-2-ol?
The InChIKey is MAEPVSUFBQPABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O/c1-9-5-3-2-4-8(9)6-10(15,7-9)11(12,13)14/h8,15H,2-7H2,1H3.
What are the key properties of 7a-methyl-2-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-1H-inden-2-ol?
7a-methyl-2-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-1H-inden-2-ol has a molecular weight of 222.25 g/mol, XLogP of 3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-2-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-1H-inden-2-ol is sourced from PubChem (CID 59331059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).