5-methoxy-1-(trifluoromethyl)-2,3-dihydroinden-1-ol

C11H11F3O2 — CID 18677646

IUPAC5-methoxy-1-(trifluoromethyl)-2,3-dihydroinden-1-ol
SMILESCOc1ccc2c(c1)CCC2(O)C(F)(F)F
InChIInChI=1S/C11H11F3O2/c1-16-8-2-3-9-7(6-8)4-5-10(9,15)11(12,13)14/h2-3,6,15H,4-5H2,1H3
InChIKeyITSJGTVWYFIFMW-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.39
Rot. Bonds1

About 5-methoxy-1-(trifluoromethyl)-2,3-dihydroinden-1-ol

5-methoxy-1-(trifluoromethyl)-2,3-dihydroinden-1-ol (PubChem CID 18677646) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 5-methoxy-1-(trifluoromethyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name5-methoxy-1-(trifluoromethyl)-2,3-dihydroinden-1-ol
PubChem CID18677646
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name5-methoxy-1-(trifluoromethyl)-2,3-dihydroinden-1-ol
SMILESCOc1ccc2c(c1)CCC2(O)C(F)(F)F
InChIInChI=1S/C11H11F3O2/c1-16-8-2-3-9-7(6-8)4-5-10(9,15)11(12,13)14/h2-3,6,15H,4-5H2,1H3
InChIKeyITSJGTVWYFIFMW-UHFFFAOYSA-N
XLogP2.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(trifluoromethyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 5-methoxy-1-(trifluoromethyl)-2,3-dihydroinden-1-ol (CID 18677646) is 5-methoxy-1-(trifluoromethyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 5-methoxy-1-(trifluoromethyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 5-methoxy-1-(trifluoromethyl)-2,3-dihydroinden-1-ol is COc1ccc2c(c1)CCC2(O)C(F)(F)F.
What is the InChIKey of 5-methoxy-1-(trifluoromethyl)-2,3-dihydroinden-1-ol?
The InChIKey is ITSJGTVWYFIFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-16-8-2-3-9-7(6-8)4-5-10(9,15)11(12,13)14/h2-3,6,15H,4-5H2,1H3.
What are the key properties of 5-methoxy-1-(trifluoromethyl)-2,3-dihydroinden-1-ol?
5-methoxy-1-(trifluoromethyl)-2,3-dihydroinden-1-ol has a molecular weight of 232.20 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(trifluoromethyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 18677646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).