8-bromo-5-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-ol

C10H8BrF3O2 — CID 101361849

IUPAC8-bromo-5-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-ol
SMILESOc1cc(C(F)(F)F)c2c(c1Br)OCCC2
InChIInChI=1S/C10H8BrF3O2/c11-8-7(15)4-6(10(12,13)14)5-2-1-3-16-9(5)8/h4,15H,1-3H2
InChIKeyUPAIMBNYMYTOFW-UHFFFAOYSA-N
MW297.07 g/mol
LogP3.50
Rot. Bonds

About 8-bromo-5-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-ol

8-bromo-5-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-ol (PubChem CID 101361849) has the molecular formula C10H8BrF3O2 and a molecular weight of 297.07 g/mol. Its IUPAC name is 8-bromo-5-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name8-bromo-5-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-ol
PubChem CID101361849
Molecular FormulaC10H8BrF3O2
Molecular Weight297.07 g/mol
Exact Mass295.97
IUPAC Name8-bromo-5-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-ol
SMILESOc1cc(C(F)(F)F)c2c(c1Br)OCCC2
InChIInChI=1S/C10H8BrF3O2/c11-8-7(15)4-6(10(12,13)14)5-2-1-3-16-9(5)8/h4,15H,1-3H2
InChIKeyUPAIMBNYMYTOFW-UHFFFAOYSA-N
XLogP3.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.07
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of 8-bromo-5-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-ol (CID 101361849) is 8-bromo-5-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for 8-bromo-5-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for 8-bromo-5-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-ol is Oc1cc(C(F)(F)F)c2c(c1Br)OCCC2.
What is the InChIKey of 8-bromo-5-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is UPAIMBNYMYTOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3O2/c11-8-7(15)4-6(10(12,13)14)5-2-1-3-16-9(5)8/h4,15H,1-3H2.
What are the key properties of 8-bromo-5-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-ol?
8-bromo-5-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 297.07 g/mol, XLogP of 3.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 101361849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).