2-bromo-4-[(E)-3-methoxyprop-2-enyl]-1-(trifluoromethoxy)benzene

C11H10BrF3O2 — CID 176990478

IUPAC2-bromo-4-[(E)-3-methoxyprop-2-enyl]-1-(trifluoromethoxy)benzene
SMILESCO/C=C/Cc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C11H10BrF3O2/c1-16-6-2-3-8-4-5-10(9(12)7-8)17-11(13,14)15/h2,4-7H,3H2,1H3/b6-2+
InChIKeyGQDRZTDMOZTBNH-QHHAFSJGSA-N
MW311.10 g/mol
LogP4.05
Rot. Bonds4

About 2-bromo-4-[(E)-3-methoxyprop-2-enyl]-1-(trifluoromethoxy)benzene

2-bromo-4-[(E)-3-methoxyprop-2-enyl]-1-(trifluoromethoxy)benzene (PubChem CID 176990478) has the molecular formula C11H10BrF3O2 and a molecular weight of 311.10 g/mol. Its IUPAC name is 2-bromo-4-[(E)-3-methoxyprop-2-enyl]-1-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-bromo-4-[(E)-3-methoxyprop-2-enyl]-1-(trifluoromethoxy)benzene
PubChem CID176990478
Molecular FormulaC11H10BrF3O2
Molecular Weight311.10 g/mol
Exact Mass309.98
IUPAC Name2-bromo-4-[(E)-3-methoxyprop-2-enyl]-1-(trifluoromethoxy)benzene
SMILESCO/C=C/Cc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C11H10BrF3O2/c1-16-6-2-3-8-4-5-10(9(12)7-8)17-11(13,14)15/h2,4-7H,3H2,1H3/b6-2+
InChIKeyGQDRZTDMOZTBNH-QHHAFSJGSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.10
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-[3-bromo-4-(trifluoromethoxy)phenyl]propanal
CID 134621760
2-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1,1-dimethylhydrazine
CID 107342453
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-3-methoxy-2-methylpropan-1-amine
CID 107342323
3-bromo-4-[3-bromo-4-(trifluoromethoxy)phenyl]butan-2-one
CID 107336752
2-[[3-bromo-4-(trifluoromethoxy)phenyl]methylamino]ethanol
CID 107342223
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]aniline
CID 107342163
2-bromo-1-[3-bromo-4-(trifluoromethoxy)phenyl]hexan-3-one
CID 107336755
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-methylcyclopentan-1-amine
CID 107342298
2-bromo-N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]aniline
CID 107342183
2-chloro-1-ethoxy-4-[(E)-3-methoxyprop-2-enyl]benzene
CID 171624959
2-N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 107342451
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-2-methylsulfanylpropan-1-amine
CID 107342475

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(E)-3-methoxyprop-2-enyl]-1-(trifluoromethoxy)benzene?
The IUPAC name of 2-bromo-4-[(E)-3-methoxyprop-2-enyl]-1-(trifluoromethoxy)benzene (CID 176990478) is 2-bromo-4-[(E)-3-methoxyprop-2-enyl]-1-(trifluoromethoxy)benzene.
What is the SMILES notation for 2-bromo-4-[(E)-3-methoxyprop-2-enyl]-1-(trifluoromethoxy)benzene?
The canonical SMILES for 2-bromo-4-[(E)-3-methoxyprop-2-enyl]-1-(trifluoromethoxy)benzene is CO/C=C/Cc1ccc(OC(F)(F)F)c(Br)c1.
What is the InChIKey of 2-bromo-4-[(E)-3-methoxyprop-2-enyl]-1-(trifluoromethoxy)benzene?
The InChIKey is GQDRZTDMOZTBNH-QHHAFSJGSA-N. The full InChI is InChI=1S/C11H10BrF3O2/c1-16-6-2-3-8-4-5-10(9(12)7-8)17-11(13,14)15/h2,4-7H,3H2,1H3/b6-2+.
What are the key properties of 2-bromo-4-[(E)-3-methoxyprop-2-enyl]-1-(trifluoromethoxy)benzene?
2-bromo-4-[(E)-3-methoxyprop-2-enyl]-1-(trifluoromethoxy)benzene has a molecular weight of 311.10 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(E)-3-methoxyprop-2-enyl]-1-(trifluoromethoxy)benzene is sourced from PubChem (CID 176990478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).