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

C7HBr2F5O — CID 118807728

IUPAC1,5-dibromo-2,3-difluoro-4-(trifluoromethoxy)benzene
SMILESFc1c(Br)cc(Br)c(OC(F)(F)F)c1F
InChIInChI=1S/C7HBr2F5O/c8-2-1-3(9)6(5(11)4(2)10)15-7(12,13)14/h1H
InChIKeyBOMAMCQGADKNFD-UHFFFAOYSA-N
MW355.88 g/mol
LogP4.39
Rot. Bonds1

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

1,5-dibromo-2,3-difluoro-4-(trifluoromethoxy)benzene (PubChem CID 118807728) has the molecular formula C7HBr2F5O and a molecular weight of 355.88 g/mol. Its IUPAC name is 1,5-dibromo-2,3-difluoro-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1,5-dibromo-2,3-difluoro-4-(trifluoromethoxy)benzene
PubChem CID118807728
Molecular FormulaC7HBr2F5O
Molecular Weight355.88 g/mol
Exact Mass353.83
IUPAC Name1,5-dibromo-2,3-difluoro-4-(trifluoromethoxy)benzene
SMILESFc1c(Br)cc(Br)c(OC(F)(F)F)c1F
InChIInChI=1S/C7HBr2F5O/c8-2-1-3(9)6(5(11)4(2)10)15-7(12,13)14/h1H
InChIKeyBOMAMCQGADKNFD-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
1,4-dibromo-2,3-difluoro-5-(trifluoromethoxy)benzene
CID 121228033
1,2-dibromo-3,5-difluoro-4-(trifluoromethoxy)benzene
CID 118841593
1-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)benzene
CID 171033225
4,6-dibromo-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 119010745
1,5-dibromo-2-chloro-4-(trifluoromethoxy)benzene
CID 171006157
1-bromo-2-[bromo(difluoro)methoxy]-3,4-difluoro-5-nitrobenzene
CID 178163679
4-bromo-6-fluoro-5-(trifluoromethoxy)pyridine-2-sulfonamide
CID 118838899
4-bromo-2-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 118822750
3,5-dibromo-2-(trifluoromethoxy)benzoic acid
CID 154611943
5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)aniline
CID 131397954
5-amino-3-bromo-2-(trifluoromethoxy)benzaldehyde
CID 131287437

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-2,3-difluoro-4-(trifluoromethoxy)benzene?
The IUPAC name of 1,5-dibromo-2,3-difluoro-4-(trifluoromethoxy)benzene (CID 118807728) is 1,5-dibromo-2,3-difluoro-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1,5-dibromo-2,3-difluoro-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1,5-dibromo-2,3-difluoro-4-(trifluoromethoxy)benzene is Fc1c(Br)cc(Br)c(OC(F)(F)F)c1F.
What is the InChIKey of 1,5-dibromo-2,3-difluoro-4-(trifluoromethoxy)benzene?
The InChIKey is BOMAMCQGADKNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HBr2F5O/c8-2-1-3(9)6(5(11)4(2)10)15-7(12,13)14/h1H.
What are the key properties of 1,5-dibromo-2,3-difluoro-4-(trifluoromethoxy)benzene?
1,5-dibromo-2,3-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 1,5-dibromo-2,3-difluoro-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 118807728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).