4-bromo-1-(5-bromo-2-methylphenoxy)-2-(trifluoromethyl)benzene

C14H9Br2F3O — CID 107284389

IUPAC4-bromo-1-(5-bromo-2-methylphenoxy)-2-(trifluoromethyl)benzene
SMILESCc1ccc(Br)cc1Oc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H9Br2F3O/c1-8-2-3-10(16)7-13(8)20-12-5-4-9(15)6-11(12)14(17,18)19/h2-7H,1H3
InChIKeyHVPJCTPXWGCUIO-UHFFFAOYSA-N
MW410.03 g/mol
LogP6.33
Rot. Bonds2

About 4-bromo-1-(5-bromo-2-methylphenoxy)-2-(trifluoromethyl)benzene

4-bromo-1-(5-bromo-2-methylphenoxy)-2-(trifluoromethyl)benzene (PubChem CID 107284389) has the molecular formula C14H9Br2F3O and a molecular weight of 410.03 g/mol. Its IUPAC name is 4-bromo-1-(5-bromo-2-methylphenoxy)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-bromo-1-(5-bromo-2-methylphenoxy)-2-(trifluoromethyl)benzene
PubChem CID107284389
Molecular FormulaC14H9Br2F3O
Molecular Weight410.03 g/mol
Exact Mass407.90
IUPAC Name4-bromo-1-(5-bromo-2-methylphenoxy)-2-(trifluoromethyl)benzene
SMILESCc1ccc(Br)cc1Oc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H9Br2F3O/c1-8-2-3-10(16)7-13(8)20-12-5-4-9(15)6-11(12)14(17,18)19/h2-7H,1H3
InChIKeyHVPJCTPXWGCUIO-UHFFFAOYSA-N
XLogP6.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.03
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-1-(5-bromo-2-fluorophenoxy)-2-(trifluoromethyl)benzene
CID 114673155
4-bromo-1-[[4-bromo-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene
CID 166607724
4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene
CID 54396173
4-[4-bromo-2-(trifluoromethyl)phenoxy]aniline
CID 65483620
4-bromo-1-methyl-2-(trifluoromethoxy)benzene;ethane
CID 143646711
3-bromo-4-(5-bromo-2-methylphenoxy)aniline
CID 107283299
(1S)-1-[4-(5-bromo-2-methylphenoxy)-3-fluorophenyl]ethanol
CID 107284879
(1R)-1-[4-(5-bromo-2-methylphenoxy)-3-fluorophenyl]ethanol
CID 107284914
2-(5-bromo-2-methylphenoxy)-5-(trifluoromethyl)pyridine
CID 66876057
1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-(trifluoromethyl)benzene
CID 107089323
5-(5-bromo-2-methylphenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107304603
2-[2-[4-bromo-2-(trifluoromethyl)phenoxy]phenyl]ethanol
CID 107713703

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(5-bromo-2-methylphenoxy)-2-(trifluoromethyl)benzene?
The IUPAC name of 4-bromo-1-(5-bromo-2-methylphenoxy)-2-(trifluoromethyl)benzene (CID 107284389) is 4-bromo-1-(5-bromo-2-methylphenoxy)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-bromo-1-(5-bromo-2-methylphenoxy)-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-bromo-1-(5-bromo-2-methylphenoxy)-2-(trifluoromethyl)benzene is Cc1ccc(Br)cc1Oc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-1-(5-bromo-2-methylphenoxy)-2-(trifluoromethyl)benzene?
The InChIKey is HVPJCTPXWGCUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2F3O/c1-8-2-3-10(16)7-13(8)20-12-5-4-9(15)6-11(12)14(17,18)19/h2-7H,1H3.
What are the key properties of 4-bromo-1-(5-bromo-2-methylphenoxy)-2-(trifluoromethyl)benzene?
4-bromo-1-(5-bromo-2-methylphenoxy)-2-(trifluoromethyl)benzene has a molecular weight of 410.03 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(5-bromo-2-methylphenoxy)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 107284389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).