2-bromo-4-[(3-chlorophenyl)methoxy]-1-(trifluoromethoxy)benzene

C14H9BrClF3O2 — CID 102714778

IUPAC2-bromo-4-[(3-chlorophenyl)methoxy]-1-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1ccc(OCc2cccc(Cl)c2)cc1Br
InChIInChI=1S/C14H9BrClF3O2/c15-12-7-11(4-5-13(12)21-14(17,18)19)20-8-9-2-1-3-10(16)6-9/h1-7H,8H2
InChIKeyBENHXVSZNRLJNM-UHFFFAOYSA-N
MW381.58 g/mol
LogP5.58
Rot. Bonds4

About 2-bromo-4-[(3-chlorophenyl)methoxy]-1-(trifluoromethoxy)benzene

2-bromo-4-[(3-chlorophenyl)methoxy]-1-(trifluoromethoxy)benzene (PubChem CID 102714778) has the molecular formula C14H9BrClF3O2 and a molecular weight of 381.58 g/mol. Its IUPAC name is 2-bromo-4-[(3-chlorophenyl)methoxy]-1-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-bromo-4-[(3-chlorophenyl)methoxy]-1-(trifluoromethoxy)benzene
PubChem CID102714778
Molecular FormulaC14H9BrClF3O2
Molecular Weight381.58 g/mol
Exact Mass379.94
IUPAC Name2-bromo-4-[(3-chlorophenyl)methoxy]-1-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1ccc(OCc2cccc(Cl)c2)cc1Br
InChIInChI=1S/C14H9BrClF3O2/c15-12-7-11(4-5-13(12)21-14(17,18)19)20-8-9-2-1-3-10(16)6-9/h1-7H,8H2
InChIKeyBENHXVSZNRLJNM-UHFFFAOYSA-N
XLogP5.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.58
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-[(3-chlorophenyl)methoxy]-4-fluorobenzene
CID 28548362
2,5-bis[(3-chlorophenyl)methoxy]phenol
CID 139941886
3-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-6-chloropyridazine
CID 102714410
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol
CID 102674568
[3-[(3-chlorophenyl)methoxy]phenyl]methanol
CID 28562037
3-bromo-4-[(3-chlorophenyl)methoxy]benzenesulfonamide
CID 43342289
5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-amine
CID 102714952
3-[3-bromo-4-(trifluoromethoxy)phenoxy]propan-1-ol
CID 102674553
2-bromo-1-fluoro-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 83233328
5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2-methyltetrazole
CID 107043127
2-bromo-4-[(3-chlorophenyl)methoxymethyl]-1-methoxybenzene
CID 65126584

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(3-chlorophenyl)methoxy]-1-(trifluoromethoxy)benzene?
The IUPAC name of 2-bromo-4-[(3-chlorophenyl)methoxy]-1-(trifluoromethoxy)benzene (CID 102714778) is 2-bromo-4-[(3-chlorophenyl)methoxy]-1-(trifluoromethoxy)benzene.
What is the SMILES notation for 2-bromo-4-[(3-chlorophenyl)methoxy]-1-(trifluoromethoxy)benzene?
The canonical SMILES for 2-bromo-4-[(3-chlorophenyl)methoxy]-1-(trifluoromethoxy)benzene is FC(F)(F)Oc1ccc(OCc2cccc(Cl)c2)cc1Br.
What is the InChIKey of 2-bromo-4-[(3-chlorophenyl)methoxy]-1-(trifluoromethoxy)benzene?
The InChIKey is BENHXVSZNRLJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF3O2/c15-12-7-11(4-5-13(12)21-14(17,18)19)20-8-9-2-1-3-10(16)6-9/h1-7H,8H2.
What are the key properties of 2-bromo-4-[(3-chlorophenyl)methoxy]-1-(trifluoromethoxy)benzene?
2-bromo-4-[(3-chlorophenyl)methoxy]-1-(trifluoromethoxy)benzene has a molecular weight of 381.58 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(3-chlorophenyl)methoxy]-1-(trifluoromethoxy)benzene is sourced from PubChem (CID 102714778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).