1-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzene

C15H12BrF3O2 — CID 43324698

IUPAC1-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
SMILESFC(F)(F)Oc1ccc(COc2cccc(CBr)c2)cc1
InChIInChI=1S/C15H12BrF3O2/c16-9-12-2-1-3-14(8-12)20-10-11-4-6-13(7-5-11)21-15(17,18)19/h1-8H,9-10H2
InChIKeyWXAGWWAFGVJHPL-UHFFFAOYSA-N
MW361.16 g/mol
LogP5.06
Rot. Bonds5

About 1-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzene

1-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzene (PubChem CID 43324698) has the molecular formula C15H12BrF3O2 and a molecular weight of 361.16 g/mol. Its IUPAC name is 1-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzene.

Molecular Properties

Compound Name1-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
PubChem CID43324698
Molecular FormulaC15H12BrF3O2
Molecular Weight361.16 g/mol
Exact Mass360.00
IUPAC Name1-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
SMILESFC(F)(F)Oc1ccc(COc2cccc(CBr)c2)cc1
InChIInChI=1S/C15H12BrF3O2/c16-9-12-2-1-3-14(8-12)20-10-11-4-6-13(7-5-11)21-15(17,18)19/h1-8H,9-10H2
InChIKeyWXAGWWAFGVJHPL-UHFFFAOYSA-N
XLogP5.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.16
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene
CID 20738781
[3-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol
CID 177328592
1-methyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]benzene
CID 143173489
2-bromo-1-fluoro-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 83233328
1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64765106
[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol
CID 115969593
1-(bromomethyl)-3-[chloro(difluoro)methoxy]benzene
CID 167725245
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
1-(bromomethyl)-3-[4-[3-(bromomethyl)phenoxy]butoxy]benzene
CID 71444905
1-(bromomethyl)-3-(2,2,3,3-tetrafluoropropoxy)benzene
CID 86068630
1-bromo-3-phenylmethoxy-5-(trifluoromethoxy)benzene
CID 53216974
5-phenylmethoxy-2-[3-(trifluoromethoxy)phenyl]aniline
CID 172674848

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzene?
The IUPAC name of 1-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzene (CID 43324698) is 1-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzene.
What is the SMILES notation for 1-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzene?
The canonical SMILES for 1-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzene is FC(F)(F)Oc1ccc(COc2cccc(CBr)c2)cc1.
What is the InChIKey of 1-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzene?
The InChIKey is WXAGWWAFGVJHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3O2/c16-9-12-2-1-3-14(8-12)20-10-11-4-6-13(7-5-11)21-15(17,18)19/h1-8H,9-10H2.
What are the key properties of 1-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzene?
1-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzene has a molecular weight of 361.16 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzene is sourced from PubChem (CID 43324698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).