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

C14H10BrF3O2 — CID 53216974

IUPAC1-bromo-3-phenylmethoxy-5-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cc(Br)cc(OCc2ccccc2)c1
InChIInChI=1S/C14H10BrF3O2/c15-11-6-12(8-13(7-11)20-14(16,17)18)19-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyZVKREHXYXUPPEJ-UHFFFAOYSA-N
MW347.13 g/mol
LogP4.93
Rot. Bonds4

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

1-bromo-3-phenylmethoxy-5-(trifluoromethoxy)benzene (PubChem CID 53216974) has the molecular formula C14H10BrF3O2 and a molecular weight of 347.13 g/mol. Its IUPAC name is 1-bromo-3-phenylmethoxy-5-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-bromo-3-phenylmethoxy-5-(trifluoromethoxy)benzene
PubChem CID53216974
Molecular FormulaC14H10BrF3O2
Molecular Weight347.13 g/mol
Exact Mass345.98
IUPAC Name1-bromo-3-phenylmethoxy-5-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cc(Br)cc(OCc2ccccc2)c1
InChIInChI=1S/C14H10BrF3O2/c15-11-6-12(8-13(7-11)20-14(16,17)18)19-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyZVKREHXYXUPPEJ-UHFFFAOYSA-N
XLogP4.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.13
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene
CID 20738781
1,3-bis(phenylmethoxy)-5-(2,2,2-trifluoroethyl)benzene
CID 159571173
1-bromo-3-fluoro-5-phenylmethoxybenzene;phenylmethanol
CID 70121150
1-bromo-3-phenylmethoxy-5-propan-2-ylbenzene
CID 162421142
5-[3-phenylmethoxy-5-(trifluoromethoxy)phenyl]-2H-triazole-4-carbonitrile
CID 122477469
1,3-dibromo-5-phenylmethoxybenzene;trimethyl-(3-phenylmethoxy-5-trimethylsilylphenyl)silane
CID 158971127
3-bromo-5-[[4-(trifluoromethoxy)phenoxy]methyl]aniline
CID 103350409
1-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 43324698
1-[(3-bromo-5-phenylmethoxyphenyl)methyl]-4-(trifluoromethyl)piperidine
CID 172648004
3-bromo-5-phenylmethoxypyridine
CID 15389198
benzyl N-[4-[3-bromo-5-(trifluoromethoxy)phenyl]butyl]carbamate
CID 66581924
2-bromo-1-(3-bromo-5-phenylmethoxyphenyl)ethanone
CID 139225242

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-phenylmethoxy-5-(trifluoromethoxy)benzene?
The IUPAC name of 1-bromo-3-phenylmethoxy-5-(trifluoromethoxy)benzene (CID 53216974) is 1-bromo-3-phenylmethoxy-5-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-bromo-3-phenylmethoxy-5-(trifluoromethoxy)benzene?
The canonical SMILES for 1-bromo-3-phenylmethoxy-5-(trifluoromethoxy)benzene is FC(F)(F)Oc1cc(Br)cc(OCc2ccccc2)c1.
What is the InChIKey of 1-bromo-3-phenylmethoxy-5-(trifluoromethoxy)benzene?
The InChIKey is ZVKREHXYXUPPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3O2/c15-11-6-12(8-13(7-11)20-14(16,17)18)19-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 1-bromo-3-phenylmethoxy-5-(trifluoromethoxy)benzene?
1-bromo-3-phenylmethoxy-5-(trifluoromethoxy)benzene has a molecular weight of 347.13 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-phenylmethoxy-5-(trifluoromethoxy)benzene is sourced from PubChem (CID 53216974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).