5-bromo-2-(2,2,2-trifluoroethyl)isoindol-1-ol

C10H7BrF3NO — CID 91110685

IUPAC5-bromo-2-(2,2,2-trifluoroethyl)isoindol-1-ol
SMILESOc1c2ccc(Br)cc2cn1CC(F)(F)F
InChIInChI=1S/C10H7BrF3NO/c11-7-1-2-8-6(3-7)4-15(9(8)16)5-10(12,13)14/h1-4,16H,5H2
InChIKeyLWOTXSZCJKGJQX-UHFFFAOYSA-N
MW294.07 g/mol
LogP3.67
Rot. Bonds1

About 5-bromo-2-(2,2,2-trifluoroethyl)isoindol-1-ol

5-bromo-2-(2,2,2-trifluoroethyl)isoindol-1-ol (PubChem CID 91110685) has the molecular formula C10H7BrF3NO and a molecular weight of 294.07 g/mol. Its IUPAC name is 5-bromo-2-(2,2,2-trifluoroethyl)isoindol-1-ol.

Molecular Properties

Compound Name5-bromo-2-(2,2,2-trifluoroethyl)isoindol-1-ol
PubChem CID91110685
Molecular FormulaC10H7BrF3NO
Molecular Weight294.07 g/mol
Exact Mass292.97
IUPAC Name5-bromo-2-(2,2,2-trifluoroethyl)isoindol-1-ol
SMILESOc1c2ccc(Br)cc2cn1CC(F)(F)F
InChIInChI=1S/C10H7BrF3NO/c11-7-1-2-8-6(3-7)4-15(9(8)16)5-10(12,13)14/h1-4,16H,5H2
InChIKeyLWOTXSZCJKGJQX-UHFFFAOYSA-N
XLogP3.67
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.07
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol
CID 90705871
2-[(4-Fluorophenyl)methyl]-7-iodoisoindol-1-ol
CID 90733817
5-bromo-2-[(1R)-1-(4-fluorophenyl)ethyl]-7-methylisoindol-1-ol
CID 90761158
2-[[4-(Trifluoromethyl)phenyl]methyl]isoindol-1-ol
CID 90773222
2-(3-Bromo-2-methylphenyl)-6-fluoroisoindol-1-ol
CID 90782600
2-[3-(2,4-Difluorophenyl)propyl]isoindol-1-ol
CID 90794714
2-Benzyl-6-fluoroisoindol-1-ol
CID 90795823
2-[3-[3-(Trifluoromethyl)phenyl]propyl]isoindol-1-ol
CID 90805338
7-Bromo-2-[3-(3-fluorophenyl)propyl]isoindol-1-ol
CID 90831098
5-Fluoro-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol
CID 90893129
5-Bromo-2-[[4-(difluoromethoxy)phenyl]methyl]-7-methylisoindol-1-ol
CID 90927614
2-[(4-Fluorophenyl)methyl]isoindol-1-ol
CID 90979896

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,2,2-trifluoroethyl)isoindol-1-ol?
The IUPAC name of 5-bromo-2-(2,2,2-trifluoroethyl)isoindol-1-ol (CID 91110685) is 5-bromo-2-(2,2,2-trifluoroethyl)isoindol-1-ol.
What is the SMILES notation for 5-bromo-2-(2,2,2-trifluoroethyl)isoindol-1-ol?
The canonical SMILES for 5-bromo-2-(2,2,2-trifluoroethyl)isoindol-1-ol is Oc1c2ccc(Br)cc2cn1CC(F)(F)F.
What is the InChIKey of 5-bromo-2-(2,2,2-trifluoroethyl)isoindol-1-ol?
The InChIKey is LWOTXSZCJKGJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF3NO/c11-7-1-2-8-6(3-7)4-15(9(8)16)5-10(12,13)14/h1-4,16H,5H2.
What are the key properties of 5-bromo-2-(2,2,2-trifluoroethyl)isoindol-1-ol?
5-bromo-2-(2,2,2-trifluoroethyl)isoindol-1-ol has a molecular weight of 294.07 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,2,2-trifluoroethyl)isoindol-1-ol is sourced from PubChem (CID 91110685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).