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

C17H10ClF6NO2 — CID 90703191

IUPAC5-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol
SMILESOc1c2c(C(F)(F)F)cc(Cl)cc2cn1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H10ClF6NO2/c18-11-5-10-8-25(15(26)14(10)13(6-11)16(19,20)21)7-9-1-3-12(4-2-9)27-17(22,23)24/h1-6,8,26H,7H2
InChIKeyYRTUZSODVCJYHK-UHFFFAOYSA-N
MW409.71 g/mol
LogP5.97
Rot. Bonds3

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

5-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol (PubChem CID 90703191) has the molecular formula C17H10ClF6NO2 and a molecular weight of 409.71 g/mol. Its IUPAC name is 5-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol.

Molecular Properties

Compound Name5-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol
PubChem CID90703191
Molecular FormulaC17H10ClF6NO2
Molecular Weight409.71 g/mol
Exact Mass409.03
IUPAC Name5-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol
SMILESOc1c2c(C(F)(F)F)cc(Cl)cc2cn1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H10ClF6NO2/c18-11-5-10-8-25(15(26)14(10)13(6-11)16(19,20)21)7-9-1-3-12(4-2-9)27-17(22,23)24/h1-6,8,26H,7H2
InChIKeyYRTUZSODVCJYHK-UHFFFAOYSA-N
XLogP5.97
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.71
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
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-Methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90724446
5-Chloro-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)isoindol-1-ol
CID 90735585
2-[(4-Chlorophenyl)methyl]-6-fluoro-3-hydroxyisoindole-4-carbonitrile
CID 90740610
7-Chloro-5-fluoro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90754498
5-(2-Fluoro-3-pyridinyl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90755250
7-Chloro-6-fluoro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90762498
7-Methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90770150
5,7-Dichloro-2-[[4-(difluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90781008

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol?
The IUPAC name of 5-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol (CID 90703191) is 5-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol.
What is the SMILES notation for 5-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol?
The canonical SMILES for 5-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol is Oc1c2c(C(F)(F)F)cc(Cl)cc2cn1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol?
The InChIKey is YRTUZSODVCJYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF6NO2/c18-11-5-10-8-25(15(26)14(10)13(6-11)16(19,20)21)7-9-1-3-12(4-2-9)27-17(22,23)24/h1-6,8,26H,7H2.
What are the key properties of 5-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol?
5-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol has a molecular weight of 409.71 g/mol, XLogP of 5.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol is sourced from PubChem (CID 90703191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).