1,2-dibromo-3,5-difluoro-4-(trifluoromethoxy)benzene

C7HBr2F5O — CID 118841593

IUPAC1,2-dibromo-3,5-difluoro-4-(trifluoromethoxy)benzene
SMILESFc1cc(Br)c(Br)c(F)c1OC(F)(F)F
InChIInChI=1S/C7HBr2F5O/c8-2-1-3(10)6(5(11)4(2)9)15-7(12,13)14/h1H
InChIKeyOWMKZAGNCJMXOL-UHFFFAOYSA-N
MW355.88 g/mol
LogP4.39
Rot. Bonds1

About 1,2-dibromo-3,5-difluoro-4-(trifluoromethoxy)benzene

1,2-dibromo-3,5-difluoro-4-(trifluoromethoxy)benzene (PubChem CID 118841593) has the molecular formula C7HBr2F5O and a molecular weight of 355.88 g/mol. Its IUPAC name is 1,2-dibromo-3,5-difluoro-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1,2-dibromo-3,5-difluoro-4-(trifluoromethoxy)benzene
PubChem CID118841593
Molecular FormulaC7HBr2F5O
Molecular Weight355.88 g/mol
Exact Mass353.83
IUPAC Name1,2-dibromo-3,5-difluoro-4-(trifluoromethoxy)benzene
SMILESFc1cc(Br)c(Br)c(F)c1OC(F)(F)F
InChIInChI=1S/C7HBr2F5O/c8-2-1-3(10)6(5(11)4(2)9)15-7(12,13)14/h1H
InChIKeyOWMKZAGNCJMXOL-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.88
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1,3-dibromo-5-fluoro-2-(trifluoromethoxy)benzene
CID 118813366
1,5-dibromo-2,3-difluoro-4-(trifluoromethoxy)benzene
CID 118807728
2,4-dibromo-1,3-difluoro-5-(trifluoromethoxy)benzene
CID 118819001
3-bromo-5-fluoro-2-methoxy-4-(trifluoromethoxy)aniline
CID 98041889
1,4-dibromo-2,3-difluoro-5-(trifluoromethoxy)benzene
CID 121228033
1-bromo-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene
CID 171033218
3-fluoro-5-methyl-4-(trifluoromethoxy)aniline
CID 130883665
1-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)benzene
CID 171033225
2-bromo-4-fluoro-5-(trifluoromethoxy)aniline
CID 98041876
2-bromo-4-fluoro-3-(trifluoromethoxy)aniline
CID 119010333
3,5-difluoro-4-(trifluoromethoxy)benzoic acid
CID 56973642
5-ethyl-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 56617585

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-3,5-difluoro-4-(trifluoromethoxy)benzene?
The IUPAC name of 1,2-dibromo-3,5-difluoro-4-(trifluoromethoxy)benzene (CID 118841593) is 1,2-dibromo-3,5-difluoro-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1,2-dibromo-3,5-difluoro-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1,2-dibromo-3,5-difluoro-4-(trifluoromethoxy)benzene is Fc1cc(Br)c(Br)c(F)c1OC(F)(F)F.
What is the InChIKey of 1,2-dibromo-3,5-difluoro-4-(trifluoromethoxy)benzene?
The InChIKey is OWMKZAGNCJMXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HBr2F5O/c8-2-1-3(10)6(5(11)4(2)9)15-7(12,13)14/h1H.
What are the key properties of 1,2-dibromo-3,5-difluoro-4-(trifluoromethoxy)benzene?
1,2-dibromo-3,5-difluoro-4-(trifluoromethoxy)benzene has a molecular weight of 355.88 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-3,5-difluoro-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 118841593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).