1-bromo-3-(3-methoxyphenyl)-5-(trifluoromethoxy)benzene

C14H10BrF3O2 — CID 171367488

IUPAC1-bromo-3-(3-methoxyphenyl)-5-(trifluoromethoxy)benzene
SMILESCOc1cccc(-c2cc(Br)cc(OC(F)(F)F)c2)c1
InChIInChI=1S/C14H10BrF3O2/c1-19-12-4-2-3-9(6-12)10-5-11(15)8-13(7-10)20-14(16,17)18/h2-8H,1H3
InChIKeyXADDLNXYYBADGU-UHFFFAOYSA-N
MW347.13 g/mol
LogP5.02
Rot. Bonds3

About 1-bromo-3-(3-methoxyphenyl)-5-(trifluoromethoxy)benzene

1-bromo-3-(3-methoxyphenyl)-5-(trifluoromethoxy)benzene (PubChem CID 171367488) has the molecular formula C14H10BrF3O2 and a molecular weight of 347.13 g/mol. Its IUPAC name is 1-bromo-3-(3-methoxyphenyl)-5-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-bromo-3-(3-methoxyphenyl)-5-(trifluoromethoxy)benzene
PubChem CID171367488
Molecular FormulaC14H10BrF3O2
Molecular Weight347.13 g/mol
Exact Mass345.98
IUPAC Name1-bromo-3-(3-methoxyphenyl)-5-(trifluoromethoxy)benzene
SMILESCOc1cccc(-c2cc(Br)cc(OC(F)(F)F)c2)c1
InChIInChI=1S/C14H10BrF3O2/c1-19-12-4-2-3-9(6-12)10-5-11(15)8-13(7-10)20-14(16,17)18/h2-8H,1H3
InChIKeyXADDLNXYYBADGU-UHFFFAOYSA-N
XLogP5.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.13
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-(3-methoxyphenyl)benzene
CID 2757034
3-bromo-5-[3-(trifluoromethoxy)phenyl]benzamide
CID 170460021
3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 52937146
1-bromo-3-(2-methylphenyl)-5-(trifluoromethoxy)benzene
CID 171367195
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
4-methoxy-2-[3-(trifluoromethoxy)phenyl]aniline
CID 156613139
3-bromo-5-(3-methoxyphenyl)benzamide
CID 170460020
1-fluoro-2-methoxy-4-[3-(trifluoromethoxy)phenyl]benzene
CID 118821679
1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 14468002
1-bromo-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene
CID 155293542

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(3-methoxyphenyl)-5-(trifluoromethoxy)benzene?
The IUPAC name of 1-bromo-3-(3-methoxyphenyl)-5-(trifluoromethoxy)benzene (CID 171367488) is 1-bromo-3-(3-methoxyphenyl)-5-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-bromo-3-(3-methoxyphenyl)-5-(trifluoromethoxy)benzene?
The canonical SMILES for 1-bromo-3-(3-methoxyphenyl)-5-(trifluoromethoxy)benzene is COc1cccc(-c2cc(Br)cc(OC(F)(F)F)c2)c1.
What is the InChIKey of 1-bromo-3-(3-methoxyphenyl)-5-(trifluoromethoxy)benzene?
The InChIKey is XADDLNXYYBADGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3O2/c1-19-12-4-2-3-9(6-12)10-5-11(15)8-13(7-10)20-14(16,17)18/h2-8H,1H3.
What are the key properties of 1-bromo-3-(3-methoxyphenyl)-5-(trifluoromethoxy)benzene?
1-bromo-3-(3-methoxyphenyl)-5-(trifluoromethoxy)benzene has a molecular weight of 347.13 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(3-methoxyphenyl)-5-(trifluoromethoxy)benzene is sourced from PubChem (CID 171367488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).