7-bromo-4,4,5-trifluoro-2,3-dihydro-1H-naphthalen-1-ol

C10H8BrF3O — CID 58995716

IUPAC7-bromo-4,4,5-trifluoro-2,3-dihydro-1H-naphthalen-1-ol
SMILESOC1CCC(F)(F)c2c(F)cc(Br)cc21
InChIInChI=1S/C10H8BrF3O/c11-5-3-6-8(15)1-2-10(13,14)9(6)7(12)4-5/h3-4,8,15H,1-2H2
InChIKeyMUXYBHNGLHXARF-UHFFFAOYSA-N
MW281.07 g/mol
LogP3.51
Rot. Bonds

About 7-bromo-4,4,5-trifluoro-2,3-dihydro-1H-naphthalen-1-ol

7-bromo-4,4,5-trifluoro-2,3-dihydro-1H-naphthalen-1-ol (PubChem CID 58995716) has the molecular formula C10H8BrF3O and a molecular weight of 281.07 g/mol. Its IUPAC name is 7-bromo-4,4,5-trifluoro-2,3-dihydro-1H-naphthalen-1-ol.

Molecular Properties

Compound Name7-bromo-4,4,5-trifluoro-2,3-dihydro-1H-naphthalen-1-ol
PubChem CID58995716
Molecular FormulaC10H8BrF3O
Molecular Weight281.07 g/mol
Exact Mass279.97
IUPAC Name7-bromo-4,4,5-trifluoro-2,3-dihydro-1H-naphthalen-1-ol
SMILESOC1CCC(F)(F)c2c(F)cc(Br)cc21
InChIInChI=1S/C10H8BrF3O/c11-5-3-6-8(15)1-2-10(13,14)9(6)7(12)4-5/h3-4,8,15H,1-2H2
InChIKeyMUXYBHNGLHXARF-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4,4,5-trifluoro-2,3-dihydro-1H-naphthalen-1-ol?
The IUPAC name of 7-bromo-4,4,5-trifluoro-2,3-dihydro-1H-naphthalen-1-ol (CID 58995716) is 7-bromo-4,4,5-trifluoro-2,3-dihydro-1H-naphthalen-1-ol.
What is the SMILES notation for 7-bromo-4,4,5-trifluoro-2,3-dihydro-1H-naphthalen-1-ol?
The canonical SMILES for 7-bromo-4,4,5-trifluoro-2,3-dihydro-1H-naphthalen-1-ol is OC1CCC(F)(F)c2c(F)cc(Br)cc21.
What is the InChIKey of 7-bromo-4,4,5-trifluoro-2,3-dihydro-1H-naphthalen-1-ol?
The InChIKey is MUXYBHNGLHXARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3O/c11-5-3-6-8(15)1-2-10(13,14)9(6)7(12)4-5/h3-4,8,15H,1-2H2.
What are the key properties of 7-bromo-4,4,5-trifluoro-2,3-dihydro-1H-naphthalen-1-ol?
7-bromo-4,4,5-trifluoro-2,3-dihydro-1H-naphthalen-1-ol has a molecular weight of 281.07 g/mol, XLogP of 3.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4,4,5-trifluoro-2,3-dihydro-1H-naphthalen-1-ol is sourced from PubChem (CID 58995716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).