2-bromo-6-(trifluoromethoxy)naphthalene

C11H6BrF3O — CID 57429270

IUPAC2-bromo-6-(trifluoromethoxy)naphthalene
SMILESFC(F)(F)Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C11H6BrF3O/c12-9-3-1-8-6-10(16-11(13,14)15)4-2-7(8)5-9/h1-6H
InChIKeyCBAJXWOCKHWGRC-UHFFFAOYSA-N
MW291.07 g/mol
LogP4.50
Rot. Bonds1

About 2-bromo-6-(trifluoromethoxy)naphthalene

2-bromo-6-(trifluoromethoxy)naphthalene (PubChem CID 57429270) has the molecular formula C11H6BrF3O and a molecular weight of 291.07 g/mol. Its IUPAC name is 2-bromo-6-(trifluoromethoxy)naphthalene.

Molecular Properties

Compound Name2-bromo-6-(trifluoromethoxy)naphthalene
PubChem CID57429270
Molecular FormulaC11H6BrF3O
Molecular Weight291.07 g/mol
Exact Mass289.96
IUPAC Name2-bromo-6-(trifluoromethoxy)naphthalene
SMILESFC(F)(F)Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C11H6BrF3O/c12-9-3-1-8-6-10(16-11(13,14)15)4-2-7(8)5-9/h1-6H
InChIKeyCBAJXWOCKHWGRC-UHFFFAOYSA-N
XLogP4.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.07
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-7-(trifluoromethoxy)naphthalene
CID 57429269
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2,6-dibromonaphthalene
CID 640591
1-bromo-4-(trifluoromethoxy)benzene;trifluoromethoxybenzene
CID 157398822
[2-bromo-4-(trifluoromethoxy)phenyl]azanium
CID 146757846
2-bromo-1-methyl-4-(trifluoromethoxy)benzene
CID 54333957
6-bromo-2-[2-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-benzimidazole
CID 67165368
1-bromo-4-[4-[4-(trifluoromethoxy)phenyl]butyl]benzene
CID 90901718
3-(6-bromonaphthalen-2-yl)oxy-4,4,4-trifluorobutan-1-amine
CID 43753369
2-bromo-6-(trifluoromethoxy)indazole
CID 150469832
3-[2-bromo-4-(trifluoromethoxy)phenyl]prop-2-enal
CID 169460050
1-fluoro-6-(trifluoromethoxy)naphthalene
CID 133084221

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(trifluoromethoxy)naphthalene?
The IUPAC name of 2-bromo-6-(trifluoromethoxy)naphthalene (CID 57429270) is 2-bromo-6-(trifluoromethoxy)naphthalene.
What is the SMILES notation for 2-bromo-6-(trifluoromethoxy)naphthalene?
The canonical SMILES for 2-bromo-6-(trifluoromethoxy)naphthalene is FC(F)(F)Oc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-bromo-6-(trifluoromethoxy)naphthalene?
The InChIKey is CBAJXWOCKHWGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF3O/c12-9-3-1-8-6-10(16-11(13,14)15)4-2-7(8)5-9/h1-6H.
What are the key properties of 2-bromo-6-(trifluoromethoxy)naphthalene?
2-bromo-6-(trifluoromethoxy)naphthalene has a molecular weight of 291.07 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(trifluoromethoxy)naphthalene is sourced from PubChem (CID 57429270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).