1-bromo-4-methoxy-2-(trifluoromethoxy)naphthalene

C12H8BrF3O2 — CID 141410710

IUPAC1-bromo-4-methoxy-2-(trifluoromethoxy)naphthalene
SMILESCOc1cc(OC(F)(F)F)c(Br)c2ccccc12
InChIInChI=1S/C12H8BrF3O2/c1-17-9-6-10(18-12(14,15)16)11(13)8-5-3-2-4-7(8)9/h2-6H,1H3
InChIKeyGAAVQHLKYIGNOR-UHFFFAOYSA-N
MW321.09 g/mol
LogP4.51
Rot. Bonds2

About 1-bromo-4-methoxy-2-(trifluoromethoxy)naphthalene

1-bromo-4-methoxy-2-(trifluoromethoxy)naphthalene (PubChem CID 141410710) has the molecular formula C12H8BrF3O2 and a molecular weight of 321.09 g/mol. Its IUPAC name is 1-bromo-4-methoxy-2-(trifluoromethoxy)naphthalene.

Molecular Properties

Compound Name1-bromo-4-methoxy-2-(trifluoromethoxy)naphthalene
PubChem CID141410710
Molecular FormulaC12H8BrF3O2
Molecular Weight321.09 g/mol
Exact Mass319.97
IUPAC Name1-bromo-4-methoxy-2-(trifluoromethoxy)naphthalene
SMILESCOc1cc(OC(F)(F)F)c(Br)c2ccccc12
InChIInChI=1S/C12H8BrF3O2/c1-17-9-6-10(18-12(14,15)16)11(13)8-5-3-2-4-7(8)9/h2-6H,1H3
InChIKeyGAAVQHLKYIGNOR-UHFFFAOYSA-N
XLogP4.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.09
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-4-methoxynaphthalen-2-amine
CID 13160423
2-methoxy-1-(trifluoromethoxy)naphthalene
CID 149345741
1-bromo-4-methoxynaphthalene;ethane
CID 143974048
2,4-dimethoxynaphthalen-1-ol
CID 12563547
4-fluoro-1-methoxy-2-[2-(trifluoromethoxy)phenyl]benzene
CID 134630084
1-methoxy-2-phenyl-3-(trifluoromethoxy)benzene
CID 18770174
6-bromo-2-methoxy-3-(trifluoromethoxy)pyridine
CID 130089390
4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene
CID 131171208
3,4-dibromo-2-methyl-8-(trifluoromethoxy)quinoline
CID 121236039
5-bromo-1-chloro-2-methoxy-3-(trifluoromethoxy)benzene
CID 68757966
2,4-dibromo-1,3-difluoro-5-(trifluoromethoxy)benzene
CID 118819001
4-iodo-1-methoxy-2-(trifluoromethoxy)benzene
CID 68685486

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methoxy-2-(trifluoromethoxy)naphthalene?
The IUPAC name of 1-bromo-4-methoxy-2-(trifluoromethoxy)naphthalene (CID 141410710) is 1-bromo-4-methoxy-2-(trifluoromethoxy)naphthalene.
What is the SMILES notation for 1-bromo-4-methoxy-2-(trifluoromethoxy)naphthalene?
The canonical SMILES for 1-bromo-4-methoxy-2-(trifluoromethoxy)naphthalene is COc1cc(OC(F)(F)F)c(Br)c2ccccc12.
What is the InChIKey of 1-bromo-4-methoxy-2-(trifluoromethoxy)naphthalene?
The InChIKey is GAAVQHLKYIGNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3O2/c1-17-9-6-10(18-12(14,15)16)11(13)8-5-3-2-4-7(8)9/h2-6H,1H3.
What are the key properties of 1-bromo-4-methoxy-2-(trifluoromethoxy)naphthalene?
1-bromo-4-methoxy-2-(trifluoromethoxy)naphthalene has a molecular weight of 321.09 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-methoxy-2-(trifluoromethoxy)naphthalene is sourced from PubChem (CID 141410710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).