5-fluoro-7-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol

C17H13F4NO — CID 90878820

IUPAC5-fluoro-7-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol
SMILESCc1cc(F)cc2cn(Cc3ccc(C(F)(F)F)cc3)c(O)c12
InChIInChI=1S/C17H13F4NO/c1-10-6-14(18)7-12-9-22(16(23)15(10)12)8-11-2-4-13(5-3-11)17(19,20)21/h2-7,9,23H,8H2,1H3
InChIKeyMKDGSLISGNYVAP-UHFFFAOYSA-N
MW323.29 g/mol
LogP4.86
Rot. Bonds2

About 5-fluoro-7-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol

5-fluoro-7-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol (PubChem CID 90878820) has the molecular formula C17H13F4NO and a molecular weight of 323.29 g/mol. Its IUPAC name is 5-fluoro-7-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol.

Molecular Properties

Compound Name5-fluoro-7-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol
PubChem CID90878820
Molecular FormulaC17H13F4NO
Molecular Weight323.29 g/mol
Exact Mass323.09
IUPAC Name5-fluoro-7-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol
SMILESCc1cc(F)cc2cn(Cc3ccc(C(F)(F)F)cc3)c(O)c12
InChIInChI=1S/C17H13F4NO/c1-10-6-14(18)7-12-9-22(16(23)15(10)12)8-11-2-4-13(5-3-11)17(19,20)21/h2-7,9,23H,8H2,1H3
InChIKeyMKDGSLISGNYVAP-UHFFFAOYSA-N
XLogP4.86
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
4-(6-Ethyl-4-methylindol-1-yl)-2-fluorophenol
CID 68199547
2,2,2-Trifluoro-1-[4-(3-isoindol-2-ylpropyl)phenyl]ethanol
CID 69620548
(1-Benzyl-3-fluoro-7-methylindol-6-yl)methanol
CID 90133255
[1-[(2,6-Difluorophenyl)methyl]-7-methylindol-6-yl]methanol
CID 90133292
[1-[(3,4-Difluorophenyl)methyl]-7-methylindol-6-yl]methanol
CID 90133300
[1-[(2,4-Difluorophenyl)methyl]-7-methylindol-6-yl]methanol
CID 90133506
[1-[(3,5-Difluorophenyl)methyl]-7-methylindol-6-yl]methanol
CID 90133681
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 5-fluoro-7-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol?
The IUPAC name of 5-fluoro-7-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol (CID 90878820) is 5-fluoro-7-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol.
What is the SMILES notation for 5-fluoro-7-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol?
The canonical SMILES for 5-fluoro-7-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol is Cc1cc(F)cc2cn(Cc3ccc(C(F)(F)F)cc3)c(O)c12.
What is the InChIKey of 5-fluoro-7-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol?
The InChIKey is MKDGSLISGNYVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4NO/c1-10-6-14(18)7-12-9-22(16(23)15(10)12)8-11-2-4-13(5-3-11)17(19,20)21/h2-7,9,23H,8H2,1H3.
What are the key properties of 5-fluoro-7-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol?
5-fluoro-7-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol has a molecular weight of 323.29 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol is sourced from PubChem (CID 90878820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).