5-bromo-2-(trifluoromethyl)-1,3-dihydroinden-2-ol

C10H8BrF3O — CID 90462059

IUPAC5-bromo-2-(trifluoromethyl)-1,3-dihydroinden-2-ol
SMILESOC1(C(F)(F)F)Cc2ccc(Br)cc2C1
InChIInChI=1S/C10H8BrF3O/c11-8-2-1-6-4-9(15,10(12,13)14)5-7(6)3-8/h1-3,15H,4-5H2
InChIKeyVFQUSGNLPZYLBS-UHFFFAOYSA-N
MW281.07 g/mol
LogP2.84
Rot. Bonds

About 5-bromo-2-(trifluoromethyl)-1,3-dihydroinden-2-ol

5-bromo-2-(trifluoromethyl)-1,3-dihydroinden-2-ol (PubChem CID 90462059) has the molecular formula C10H8BrF3O and a molecular weight of 281.07 g/mol. Its IUPAC name is 5-bromo-2-(trifluoromethyl)-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name5-bromo-2-(trifluoromethyl)-1,3-dihydroinden-2-ol
PubChem CID90462059
Molecular FormulaC10H8BrF3O
Molecular Weight281.07 g/mol
Exact Mass279.97
IUPAC Name5-bromo-2-(trifluoromethyl)-1,3-dihydroinden-2-ol
SMILESOC1(C(F)(F)F)Cc2ccc(Br)cc2C1
InChIInChI=1S/C10H8BrF3O/c11-8-2-1-6-4-9(15,10(12,13)14)5-7(6)3-8/h1-3,15H,4-5H2
InChIKeyVFQUSGNLPZYLBS-UHFFFAOYSA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.07
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(trifluoromethyl)-1,3-dihydroinden-2-ol?
The IUPAC name of 5-bromo-2-(trifluoromethyl)-1,3-dihydroinden-2-ol (CID 90462059) is 5-bromo-2-(trifluoromethyl)-1,3-dihydroinden-2-ol.
What is the SMILES notation for 5-bromo-2-(trifluoromethyl)-1,3-dihydroinden-2-ol?
The canonical SMILES for 5-bromo-2-(trifluoromethyl)-1,3-dihydroinden-2-ol is OC1(C(F)(F)F)Cc2ccc(Br)cc2C1.
What is the InChIKey of 5-bromo-2-(trifluoromethyl)-1,3-dihydroinden-2-ol?
The InChIKey is VFQUSGNLPZYLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3O/c11-8-2-1-6-4-9(15,10(12,13)14)5-7(6)3-8/h1-3,15H,4-5H2.
What are the key properties of 5-bromo-2-(trifluoromethyl)-1,3-dihydroinden-2-ol?
5-bromo-2-(trifluoromethyl)-1,3-dihydroinden-2-ol has a molecular weight of 281.07 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(trifluoromethyl)-1,3-dihydroinden-2-ol is sourced from PubChem (CID 90462059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).