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

C14H8Br2F4O — CID 107089323

IUPAC1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-(trifluoromethyl)benzene
SMILESFc1ccc(Br)cc1Oc1ccc(CBr)cc1C(F)(F)F
InChIInChI=1S/C14H8Br2F4O/c15-7-8-1-4-12(10(5-8)14(18,19)20)21-13-6-9(16)2-3-11(13)17/h1-6H,7H2
InChIKeyDPGVMQLWTMXXFM-UHFFFAOYSA-N
MW428.02 g/mol
LogP6.29
Rot. Bonds3

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

1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-(trifluoromethyl)benzene (PubChem CID 107089323) has the molecular formula C14H8Br2F4O and a molecular weight of 428.02 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-(trifluoromethyl)benzene
PubChem CID107089323
Molecular FormulaC14H8Br2F4O
Molecular Weight428.02 g/mol
Exact Mass425.89
IUPAC Name1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-(trifluoromethyl)benzene
SMILESFc1ccc(Br)cc1Oc1ccc(CBr)cc1C(F)(F)F
InChIInChI=1S/C14H8Br2F4O/c15-7-8-1-4-12(10(5-8)14(18,19)20)21-13-6-9(16)2-3-11(13)17/h1-6H,7H2
InChIKeyDPGVMQLWTMXXFM-UHFFFAOYSA-N
XLogP6.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.02
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-(5-bromo-2-fluorophenoxy)-2-(trifluoromethyl)benzene
CID 114673155
4-(bromomethyl)-1-(2-fluorophenoxy)-2-(trifluoromethyl)benzene
CID 107086881
1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-methylbenzene
CID 107089318
4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane
CID 155731469
4-(bromomethyl)-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)benzene
CID 55204720
1-[4-(bromomethyl)-2-(trifluoromethyl)phenoxy]-3,5-dimethylbenzene
CID 107087012
2,4-dibromo-1-[2-bromo-4-(bromomethyl)phenoxy]benzene
CID 114062644
4-bromo-1-(5-bromo-2-methylphenoxy)-2-(trifluoromethyl)benzene
CID 107284389
2-(5-bromo-2-fluorophenoxy)-5-(bromomethyl)pyrimidine
CID 107089324
4-(bromomethyl)-1-[(2-fluorophenyl)methoxy]-2-(trifluoromethyl)benzene
CID 63534904
1-[4-(5-bromo-2-fluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 114674328
4-(bromomethyl)-1-(4-bromophenoxy)-2-fluorobenzene
CID 107086895

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-(trifluoromethyl)benzene?
The IUPAC name of 1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-(trifluoromethyl)benzene (CID 107089323) is 1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-(trifluoromethyl)benzene is Fc1ccc(Br)cc1Oc1ccc(CBr)cc1C(F)(F)F.
What is the InChIKey of 1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-(trifluoromethyl)benzene?
The InChIKey is DPGVMQLWTMXXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2F4O/c15-7-8-1-4-12(10(5-8)14(18,19)20)21-13-6-9(16)2-3-11(13)17/h1-6H,7H2.
What are the key properties of 1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-(trifluoromethyl)benzene?
1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-(trifluoromethyl)benzene has a molecular weight of 428.02 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 107089323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).