1,3-dibromo-4-(difluoromethyl)-2,5-difluorobenzene

C7H2Br2F4 — CID 119015553

IUPAC1,3-dibromo-4-(difluoromethyl)-2,5-difluorobenzene
SMILESFc1cc(Br)c(F)c(Br)c1C(F)F
InChIInChI=1S/C7H2Br2F4/c8-2-1-3(10)4(7(12)13)5(9)6(2)11/h1,7H
InChIKeyTUCBGWIGKIRQEI-UHFFFAOYSA-N
MW321.89 g/mol
LogP4.43
Rot. Bonds1

About 1,3-dibromo-4-(difluoromethyl)-2,5-difluorobenzene

1,3-dibromo-4-(difluoromethyl)-2,5-difluorobenzene (PubChem CID 119015553) has the molecular formula C7H2Br2F4 and a molecular weight of 321.89 g/mol. Its IUPAC name is 1,3-dibromo-4-(difluoromethyl)-2,5-difluorobenzene.

Molecular Properties

Compound Name1,3-dibromo-4-(difluoromethyl)-2,5-difluorobenzene
PubChem CID119015553
Molecular FormulaC7H2Br2F4
Molecular Weight321.89 g/mol
Exact Mass319.85
IUPAC Name1,3-dibromo-4-(difluoromethyl)-2,5-difluorobenzene
SMILESFc1cc(Br)c(F)c(Br)c1C(F)F
InChIInChI=1S/C7H2Br2F4/c8-2-1-3(10)4(7(12)13)5(9)6(2)11/h1,7H
InChIKeyTUCBGWIGKIRQEI-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.89
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

Benzene, 1-bromo-2-(trifluoromethyl)-
CID 9806
2,4-Dibromotoluene
CID 94421
2,4,6-Tribromotoluene
CID 33916
Benzene, 1-bromo-4-(trifluoromethyl)-
CID 67872
1-Bromo-4-(difluoromethyl)benzene
CID 2761183
1,3-Dibromo-5-(trifluoromethyl)benzene
CID 2063489
2-Bromo-1,3,5-tris(trifluoromethyl)benzene
CID 2778046
1-Bromo-2,4-bis(trifluoromethyl)benzene
CID 136164
4-Bromo-3-fluorobenzotrifluoride
CID 142414
2-Bromo-3-fluorobenzotrifluoride
CID 517847
2-Bromo-5-fluorobenzotrifluoride
CID 520983
1-Bromo-4-(heptafluoropropyl)benzene
CID 85573268

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-4-(difluoromethyl)-2,5-difluorobenzene?
The IUPAC name of 1,3-dibromo-4-(difluoromethyl)-2,5-difluorobenzene (CID 119015553) is 1,3-dibromo-4-(difluoromethyl)-2,5-difluorobenzene.
What is the SMILES notation for 1,3-dibromo-4-(difluoromethyl)-2,5-difluorobenzene?
The canonical SMILES for 1,3-dibromo-4-(difluoromethyl)-2,5-difluorobenzene is Fc1cc(Br)c(F)c(Br)c1C(F)F.
What is the InChIKey of 1,3-dibromo-4-(difluoromethyl)-2,5-difluorobenzene?
The InChIKey is TUCBGWIGKIRQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Br2F4/c8-2-1-3(10)4(7(12)13)5(9)6(2)11/h1,7H.
What are the key properties of 1,3-dibromo-4-(difluoromethyl)-2,5-difluorobenzene?
1,3-dibromo-4-(difluoromethyl)-2,5-difluorobenzene has a molecular weight of 321.89 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-4-(difluoromethyl)-2,5-difluorobenzene is sourced from PubChem (CID 119015553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).