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

C17H10F7NO — CID 90893129

IUPAC5-fluoro-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol
SMILESOc1c2c(C(F)(F)F)cc(F)cc2cn1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H10F7NO/c18-12-5-10-8-25(15(26)14(10)13(6-12)17(22,23)24)7-9-1-3-11(4-2-9)16(19,20)21/h1-6,8,26H,7H2
InChIKeyLDWPACDLYPOELW-UHFFFAOYSA-N
MW377.26 g/mol
LogP5.57
Rot. Bonds2

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

5-fluoro-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol (PubChem CID 90893129) has the molecular formula C17H10F7NO and a molecular weight of 377.26 g/mol. Its IUPAC name is 5-fluoro-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol.

Molecular Properties

Compound Name5-fluoro-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol
PubChem CID90893129
Molecular FormulaC17H10F7NO
Molecular Weight377.26 g/mol
Exact Mass377.07
IUPAC Name5-fluoro-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol
SMILESOc1c2c(C(F)(F)F)cc(F)cc2cn1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H10F7NO/c18-12-5-10-8-25(15(26)14(10)13(6-12)17(22,23)24)7-9-1-3-11(4-2-9)16(19,20)21/h1-6,8,26H,7H2
InChIKeyLDWPACDLYPOELW-UHFFFAOYSA-N
XLogP5.57
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.26
LogP ≤ 55.57
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
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
6-Fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol
CID 90705871
5-Methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol
CID 90710239
7-Methyl-5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90714114
7-Chloro-2-[(4-fluorophenyl)methyl]-5-[(1-methylpiperidin-4-yl)methyl]isoindol-1-ol
CID 90719863
7-Methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90724446

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol?
The IUPAC name of 5-fluoro-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol (CID 90893129) is 5-fluoro-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol.
What is the SMILES notation for 5-fluoro-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol?
The canonical SMILES for 5-fluoro-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol is Oc1c2c(C(F)(F)F)cc(F)cc2cn1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-fluoro-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol?
The InChIKey is LDWPACDLYPOELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F7NO/c18-12-5-10-8-25(15(26)14(10)13(6-12)17(22,23)24)7-9-1-3-11(4-2-9)16(19,20)21/h1-6,8,26H,7H2.
What are the key properties of 5-fluoro-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol?
5-fluoro-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol has a molecular weight of 377.26 g/mol, XLogP of 5.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol is sourced from PubChem (CID 90893129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).