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

C13H6Br2F4O — CID 114673155

IUPAC4-bromo-1-(5-bromo-2-fluorophenoxy)-2-(trifluoromethyl)benzene
SMILESFc1ccc(Br)cc1Oc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H6Br2F4O/c14-7-2-4-11(9(5-7)13(17,18)19)20-12-6-8(15)1-3-10(12)16/h1-6H
InChIKeyPPFYXHKOZFQVPO-UHFFFAOYSA-N
MW413.99 g/mol
LogP6.16
Rot. Bonds2

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

4-bromo-1-(5-bromo-2-fluorophenoxy)-2-(trifluoromethyl)benzene (PubChem CID 114673155) has the molecular formula C13H6Br2F4O and a molecular weight of 413.99 g/mol. Its IUPAC name is 4-bromo-1-(5-bromo-2-fluorophenoxy)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-bromo-1-(5-bromo-2-fluorophenoxy)-2-(trifluoromethyl)benzene
PubChem CID114673155
Molecular FormulaC13H6Br2F4O
Molecular Weight413.99 g/mol
Exact Mass411.87
IUPAC Name4-bromo-1-(5-bromo-2-fluorophenoxy)-2-(trifluoromethyl)benzene
SMILESFc1ccc(Br)cc1Oc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H6Br2F4O/c14-7-2-4-11(9(5-7)13(17,18)19)20-12-6-8(15)1-3-10(12)16/h1-6H
InChIKeyPPFYXHKOZFQVPO-UHFFFAOYSA-N
XLogP6.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.99
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-(trifluoromethyl)benzene
CID 107089323
4-bromo-1-(5-bromo-2-methylphenoxy)-2-(trifluoromethyl)benzene
CID 107284389
4-bromo-1-[[4-bromo-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene
CID 166607724
4-[4-bromo-2-(trifluoromethyl)phenoxy]aniline
CID 65483620
2-(5-bromo-2-fluorophenoxy)-5-(trifluoromethyl)benzonitrile
CID 114672339
4-(5-bromo-2-fluorophenoxy)-3-fluoroaniline
CID 114671642
2-(5-bromo-2-fluorophenoxy)-5-fluoroaniline
CID 114671678
2-[2-[4-bromo-2-(trifluoromethyl)phenoxy]phenyl]ethanol
CID 107713703
4-(5-bromo-2-fluorophenoxy)-3-fluorobenzaldehyde
CID 114673909
5-bromo-2-(5-bromo-2-fluorophenoxy)benzenecarbothioamide
CID 114892303
6-(5-bromo-2-fluorophenoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102720122
4-(bromomethyl)-1-(2-fluorophenoxy)-2-(trifluoromethyl)benzene
CID 107086881

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(5-bromo-2-fluorophenoxy)-2-(trifluoromethyl)benzene?
The IUPAC name of 4-bromo-1-(5-bromo-2-fluorophenoxy)-2-(trifluoromethyl)benzene (CID 114673155) is 4-bromo-1-(5-bromo-2-fluorophenoxy)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-bromo-1-(5-bromo-2-fluorophenoxy)-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-bromo-1-(5-bromo-2-fluorophenoxy)-2-(trifluoromethyl)benzene is Fc1ccc(Br)cc1Oc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-1-(5-bromo-2-fluorophenoxy)-2-(trifluoromethyl)benzene?
The InChIKey is PPFYXHKOZFQVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2F4O/c14-7-2-4-11(9(5-7)13(17,18)19)20-12-6-8(15)1-3-10(12)16/h1-6H.
What are the key properties of 4-bromo-1-(5-bromo-2-fluorophenoxy)-2-(trifluoromethyl)benzene?
4-bromo-1-(5-bromo-2-fluorophenoxy)-2-(trifluoromethyl)benzene has a molecular weight of 413.99 g/mol, XLogP of 6.16, 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-fluorophenoxy)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 114673155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).