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

C7HBr2F5O — CID 121228033

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

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

1,4-dibromo-2,3-difluoro-5-(trifluoromethoxy)benzene (PubChem CID 121228033) has the molecular formula C7HBr2F5O and a molecular weight of 355.88 g/mol. Its IUPAC name is 1,4-dibromo-2,3-difluoro-5-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1,4-dibromo-2,3-difluoro-5-(trifluoromethoxy)benzene
PubChem CID121228033
Molecular FormulaC7HBr2F5O
Molecular Weight355.88 g/mol
Exact Mass353.83
IUPAC Name1,4-dibromo-2,3-difluoro-5-(trifluoromethoxy)benzene
SMILESFc1c(Br)cc(OC(F)(F)F)c(Br)c1F
InChIInChI=1S/C7HBr2F5O/c8-2-1-3(15-7(12,13)14)4(9)6(11)5(2)10/h1H
InChIKeyYNPFAQUBFSUVQN-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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Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2,3-difluoro-5-(trifluoromethoxy)benzene?
The IUPAC name of 1,4-dibromo-2,3-difluoro-5-(trifluoromethoxy)benzene (CID 121228033) is 1,4-dibromo-2,3-difluoro-5-(trifluoromethoxy)benzene.
What is the SMILES notation for 1,4-dibromo-2,3-difluoro-5-(trifluoromethoxy)benzene?
The canonical SMILES for 1,4-dibromo-2,3-difluoro-5-(trifluoromethoxy)benzene is Fc1c(Br)cc(OC(F)(F)F)c(Br)c1F.
What is the InChIKey of 1,4-dibromo-2,3-difluoro-5-(trifluoromethoxy)benzene?
The InChIKey is YNPFAQUBFSUVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HBr2F5O/c8-2-1-3(15-7(12,13)14)4(9)6(11)5(2)10/h1H.
What are the key properties of 1,4-dibromo-2,3-difluoro-5-(trifluoromethoxy)benzene?
1,4-dibromo-2,3-difluoro-5-(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 1,4-dibromo-2,3-difluoro-5-(trifluoromethoxy)benzene is sourced from PubChem (CID 121228033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).