1-(methoxymethyl)-6-(trifluoromethyl)-2,3-dihydro-1H-isoindole

C11H12F3NO — CID 175968687

IUPAC1-(methoxymethyl)-6-(trifluoromethyl)-2,3-dihydro-1H-isoindole
SMILESCOCC1NCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C11H12F3NO/c1-16-6-10-9-4-8(11(12,13)14)3-2-7(9)5-15-10/h2-4,10,15H,5-6H2,1H3
InChIKeyQHYXFHHFAWQQOV-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.50
Rot. Bonds2

About 1-(methoxymethyl)-6-(trifluoromethyl)-2,3-dihydro-1H-isoindole

1-(methoxymethyl)-6-(trifluoromethyl)-2,3-dihydro-1H-isoindole (PubChem CID 175968687) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 1-(methoxymethyl)-6-(trifluoromethyl)-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-(methoxymethyl)-6-(trifluoromethyl)-2,3-dihydro-1H-isoindole
PubChem CID175968687
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name1-(methoxymethyl)-6-(trifluoromethyl)-2,3-dihydro-1H-isoindole
SMILESCOCC1NCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C11H12F3NO/c1-16-6-10-9-4-8(11(12,13)14)3-2-7(9)5-15-10/h2-4,10,15H,5-6H2,1H3
InChIKeyQHYXFHHFAWQQOV-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-6-(trifluoromethyl)-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-(methoxymethyl)-6-(trifluoromethyl)-2,3-dihydro-1H-isoindole (CID 175968687) is 1-(methoxymethyl)-6-(trifluoromethyl)-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-(methoxymethyl)-6-(trifluoromethyl)-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-(methoxymethyl)-6-(trifluoromethyl)-2,3-dihydro-1H-isoindole is COCC1NCc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 1-(methoxymethyl)-6-(trifluoromethyl)-2,3-dihydro-1H-isoindole?
The InChIKey is QHYXFHHFAWQQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-16-6-10-9-4-8(11(12,13)14)3-2-7(9)5-15-10/h2-4,10,15H,5-6H2,1H3.
What are the key properties of 1-(methoxymethyl)-6-(trifluoromethyl)-2,3-dihydro-1H-isoindole?
1-(methoxymethyl)-6-(trifluoromethyl)-2,3-dihydro-1H-isoindole has a molecular weight of 231.22 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-6-(trifluoromethyl)-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 175968687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).