2-benzyl-7-(trifluoromethyl)isoindol-1-ol

C16H12F3NO — CID 91160152

IUPAC2-benzyl-7-(trifluoromethyl)isoindol-1-ol
SMILESOc1c2c(C(F)(F)F)cccc2cn1Cc1ccccc1
InChIInChI=1S/C16H12F3NO/c17-16(18,19)13-8-4-7-12-10-20(15(21)14(12)13)9-11-5-2-1-3-6-11/h1-8,10,21H,9H2
InChIKeyNJBNNRBXTKZWFJ-UHFFFAOYSA-N
MW291.27 g/mol
LogP4.41
Rot. Bonds2

About 2-benzyl-7-(trifluoromethyl)isoindol-1-ol

2-benzyl-7-(trifluoromethyl)isoindol-1-ol (PubChem CID 91160152) has the molecular formula C16H12F3NO and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-benzyl-7-(trifluoromethyl)isoindol-1-ol.

Molecular Properties

Compound Name2-benzyl-7-(trifluoromethyl)isoindol-1-ol
PubChem CID91160152
Molecular FormulaC16H12F3NO
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC Name2-benzyl-7-(trifluoromethyl)isoindol-1-ol
SMILESOc1c2c(C(F)(F)F)cccc2cn1Cc1ccccc1
InChIInChI=1S/C16H12F3NO/c17-16(18,19)13-8-4-7-12-10-20(15(21)14(12)13)9-11-5-2-1-3-6-11/h1-8,10,21H,9H2
InChIKeyNJBNNRBXTKZWFJ-UHFFFAOYSA-N
XLogP4.41
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[3-(Trifluoromethyl)phenyl]methyl]indol-3-yl]methanol
CID 16738801
1-(3h-Imidazo[4,5-C]pyridin-2-Yl)-3,4-Dihydropyrido[2,1-A]isoindol-6(2h)-One
CID 135566392
1-{3-H-imidazo[4,5-c]pyridin-2-yl}-3,4-dihydro-2H-pyrido[2,1-a]-isoindole-6-one
CID 136360144
(1Z)-1-imidazo[4,5-c]pyridin-2-ylidene-3,4-dihydro-2H-pyrido[1,2-b]isoindol-6-ol
CID 135510969
Isoindolol
CID 21225249
2-Methyl-4-[2-[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]-4,9-dihydrobenzo[f]isoindole-1,3-diol
CID 54064308
6-fluoro-2H-isoindol-1-ol
CID 54270389
4-fluoro-2H-isoindol-1-ol
CID 54413322
2,2,2-Trifluoro-1-[4-(3-isoindol-2-ylpropyl)phenyl]ethanol
CID 69620548
{1-[3,5-bis(trifluoromethyl)benzyl]-1H-indol-3-yl]methanol
CID 86636105
5-[(1-Ethylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90686906
2-[(4-Chlorophenyl)methyl]-5-fluoro-7-methylisoindol-1-ol
CID 90687564

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7-(trifluoromethyl)isoindol-1-ol?
The IUPAC name of 2-benzyl-7-(trifluoromethyl)isoindol-1-ol (CID 91160152) is 2-benzyl-7-(trifluoromethyl)isoindol-1-ol.
What is the SMILES notation for 2-benzyl-7-(trifluoromethyl)isoindol-1-ol?
The canonical SMILES for 2-benzyl-7-(trifluoromethyl)isoindol-1-ol is Oc1c2c(C(F)(F)F)cccc2cn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-7-(trifluoromethyl)isoindol-1-ol?
The InChIKey is NJBNNRBXTKZWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO/c17-16(18,19)13-8-4-7-12-10-20(15(21)14(12)13)9-11-5-2-1-3-6-11/h1-8,10,21H,9H2.
What are the key properties of 2-benzyl-7-(trifluoromethyl)isoindol-1-ol?
2-benzyl-7-(trifluoromethyl)isoindol-1-ol has a molecular weight of 291.27 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-(trifluoromethyl)isoindol-1-ol is sourced from PubChem (CID 91160152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).