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

C18H15F4NO2 — CID 90823715

IUPAC5-fluoro-7-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethyl]isoindol-1-ol
SMILESCc1cc(F)cc2cn(C(C)c3ccc(OC(F)(F)F)cc3)c(O)c12
InChIInChI=1S/C18H15F4NO2/c1-10-7-14(19)8-13-9-23(17(24)16(10)13)11(2)12-3-5-15(6-4-12)25-18(20,21)22/h3-9,11,24H,1-2H3
InChIKeyXFKBCSCWVJCWRZ-UHFFFAOYSA-N
MW353.32 g/mol
LogP5.30
Rot. Bonds3

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

5-fluoro-7-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethyl]isoindol-1-ol (PubChem CID 90823715) has the molecular formula C18H15F4NO2 and a molecular weight of 353.32 g/mol. Its IUPAC name is 5-fluoro-7-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethyl]isoindol-1-ol.

Molecular Properties

Compound Name5-fluoro-7-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethyl]isoindol-1-ol
PubChem CID90823715
Molecular FormulaC18H15F4NO2
Molecular Weight353.32 g/mol
Exact Mass353.10
IUPAC Name5-fluoro-7-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethyl]isoindol-1-ol
SMILESCc1cc(F)cc2cn(C(C)c3ccc(OC(F)(F)F)cc3)c(O)c12
InChIInChI=1S/C18H15F4NO2/c1-10-7-14(19)8-13-9-23(17(24)16(10)13)11(2)12-3-5-15(6-4-12)25-18(20,21)22/h3-9,11,24H,1-2H3
InChIKeyXFKBCSCWVJCWRZ-UHFFFAOYSA-N
XLogP5.30
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.32
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3,4-Bis(4-methoxyphenyl)pyrrol-1-yl]methyl]phenol
CID 137653346
4-[4-(4-Hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]phenol
CID 137655011
6-methoxy-4-[4-(trifluoromethoxy)phenyl]-2H-benzo[f]isoindol-1-ol
CID 54194048
6-methoxy-4-[4-(trifluoromethyl)phenyl]-2H-benzo[f]isoindol-1-ol
CID 54479502
4-(4-fluorophenyl)-6-methoxy-2H-benzo[f]isoindol-1-ol
CID 54503099
3-[2-(Dimethylamino)ethyl]-7-fluoro-1-[(4-methoxyphenyl)methyl]indol-4-ol
CID 58303948
5-[(1-Ethylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90686906
7-Methyl-5-(pyridin-4-ylmethoxy)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90690987
2-[[4-(4-Fluorophenoxy)phenyl]methyl]-7-methyl-5-pyridin-2-ylisoindol-1-ol
CID 90700030
5-Bromo-2-[[4-(3-fluorophenoxy)phenyl]methyl]-7-methylisoindol-1-ol
CID 90700900
2-[3-[4-(4-Fluorophenoxy)phenyl]propyl]-7-iodoisoindol-1-ol
CID 90701761
5-Chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol
CID 90703191

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethyl]isoindol-1-ol?
The IUPAC name of 5-fluoro-7-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethyl]isoindol-1-ol (CID 90823715) is 5-fluoro-7-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethyl]isoindol-1-ol.
What is the SMILES notation for 5-fluoro-7-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethyl]isoindol-1-ol?
The canonical SMILES for 5-fluoro-7-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethyl]isoindol-1-ol is Cc1cc(F)cc2cn(C(C)c3ccc(OC(F)(F)F)cc3)c(O)c12.
What is the InChIKey of 5-fluoro-7-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethyl]isoindol-1-ol?
The InChIKey is XFKBCSCWVJCWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4NO2/c1-10-7-14(19)8-13-9-23(17(24)16(10)13)11(2)12-3-5-15(6-4-12)25-18(20,21)22/h3-9,11,24H,1-2H3.
What are the key properties of 5-fluoro-7-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethyl]isoindol-1-ol?
5-fluoro-7-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethyl]isoindol-1-ol has a molecular weight of 353.32 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethyl]isoindol-1-ol is sourced from PubChem (CID 90823715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).