6-bromo-1,1,8-trifluoro-3,4-dihydro-2H-naphthalen-2-ol

C10H8BrF3O — CID 58995740

IUPAC6-bromo-1,1,8-trifluoro-3,4-dihydro-2H-naphthalen-2-ol
SMILESOC1CCc2cc(Br)cc(F)c2C1(F)F
InChIInChI=1S/C10H8BrF3O/c11-6-3-5-1-2-8(15)10(13,14)9(5)7(12)4-6/h3-4,8,15H,1-2H2
InChIKeyIWGYSTMPLUREQA-UHFFFAOYSA-N
MW281.07 g/mol
LogP2.99
Rot. Bonds

About 6-bromo-1,1,8-trifluoro-3,4-dihydro-2H-naphthalen-2-ol

6-bromo-1,1,8-trifluoro-3,4-dihydro-2H-naphthalen-2-ol (PubChem CID 58995740) has the molecular formula C10H8BrF3O and a molecular weight of 281.07 g/mol. Its IUPAC name is 6-bromo-1,1,8-trifluoro-3,4-dihydro-2H-naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-1,1,8-trifluoro-3,4-dihydro-2H-naphthalen-2-ol
PubChem CID58995740
Molecular FormulaC10H8BrF3O
Molecular Weight281.07 g/mol
Exact Mass279.97
IUPAC Name6-bromo-1,1,8-trifluoro-3,4-dihydro-2H-naphthalen-2-ol
SMILESOC1CCc2cc(Br)cc(F)c2C1(F)F
InChIInChI=1S/C10H8BrF3O/c11-6-3-5-1-2-8(15)10(13,14)9(5)7(12)4-6/h3-4,8,15H,1-2H2
InChIKeyIWGYSTMPLUREQA-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,1,8-trifluoro-3,4-dihydro-2H-naphthalen-2-ol?
The IUPAC name of 6-bromo-1,1,8-trifluoro-3,4-dihydro-2H-naphthalen-2-ol (CID 58995740) is 6-bromo-1,1,8-trifluoro-3,4-dihydro-2H-naphthalen-2-ol.
What is the SMILES notation for 6-bromo-1,1,8-trifluoro-3,4-dihydro-2H-naphthalen-2-ol?
The canonical SMILES for 6-bromo-1,1,8-trifluoro-3,4-dihydro-2H-naphthalen-2-ol is OC1CCc2cc(Br)cc(F)c2C1(F)F.
What is the InChIKey of 6-bromo-1,1,8-trifluoro-3,4-dihydro-2H-naphthalen-2-ol?
The InChIKey is IWGYSTMPLUREQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3O/c11-6-3-5-1-2-8(15)10(13,14)9(5)7(12)4-6/h3-4,8,15H,1-2H2.
What are the key properties of 6-bromo-1,1,8-trifluoro-3,4-dihydro-2H-naphthalen-2-ol?
6-bromo-1,1,8-trifluoro-3,4-dihydro-2H-naphthalen-2-ol has a molecular weight of 281.07 g/mol, XLogP of 2.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,1,8-trifluoro-3,4-dihydro-2H-naphthalen-2-ol is sourced from PubChem (CID 58995740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).