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

C7H2Br2F4 — CID 119021867

IUPAC2,4-dibromo-3-(difluoromethyl)-1,5-difluorobenzene
SMILESFc1cc(F)c(Br)c(C(F)F)c1Br
InChIInChI=1S/C7H2Br2F4/c8-5-2(10)1-3(11)6(9)4(5)7(12)13/h1,7H
InChIKeyCBBWNFGOUKDGET-UHFFFAOYSA-N
MW321.89 g/mol
LogP4.43
Rot. Bonds1

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

2,4-dibromo-3-(difluoromethyl)-1,5-difluorobenzene (PubChem CID 119021867) has the molecular formula C7H2Br2F4 and a molecular weight of 321.89 g/mol. Its IUPAC name is 2,4-dibromo-3-(difluoromethyl)-1,5-difluorobenzene.

Molecular Properties

Compound Name2,4-dibromo-3-(difluoromethyl)-1,5-difluorobenzene
PubChem CID119021867
Molecular FormulaC7H2Br2F4
Molecular Weight321.89 g/mol
Exact Mass319.85
IUPAC Name2,4-dibromo-3-(difluoromethyl)-1,5-difluorobenzene
SMILESFc1cc(F)c(Br)c(C(F)F)c1Br
InChIInChI=1S/C7H2Br2F4/c8-5-2(10)1-3(11)6(9)4(5)7(12)13/h1,7H
InChIKeyCBBWNFGOUKDGET-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'}

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Related Compounds

1,3-dibromo-4-(difluoromethyl)-2,5-difluorobenzene
CID 119015553
3-bromo-1-chloro-2-(difluoromethyl)-4-fluorobenzene
CID 119013054
2,3-dibromo-4-(difluoromethoxy)-1,5-difluorobenzene
CID 118835990
6-bromo-3-(difluoromethyl)-4-fluoro-2-iodopyridine
CID 130109306
6-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine
CID 130109381
2-bromo-3-(difluoromethyl)-4-fluorobenzaldehyde
CID 131344298
2-[(1R)-1-aminoethyl]-6-bromo-3,5-difluorophenol
CID 131053212
2,4-dibromo-3-(difluoromethyl)-6-fluoropyridine
CID 118998950
3-bromo-2-(difluoromethyl)-6-fluorophenol
CID 130987254
4-bromo-3-(difluoromethyl)-2,6-difluoropyridine
CID 118806244
3-bromo-2-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine
CID 130109494
magnesium;3-bromo-1,2,4,5-tetrafluorobenzene;dibromide
CID 175033297

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-3-(difluoromethyl)-1,5-difluorobenzene?
The IUPAC name of 2,4-dibromo-3-(difluoromethyl)-1,5-difluorobenzene (CID 119021867) is 2,4-dibromo-3-(difluoromethyl)-1,5-difluorobenzene.
What is the SMILES notation for 2,4-dibromo-3-(difluoromethyl)-1,5-difluorobenzene?
The canonical SMILES for 2,4-dibromo-3-(difluoromethyl)-1,5-difluorobenzene is Fc1cc(F)c(Br)c(C(F)F)c1Br.
What is the InChIKey of 2,4-dibromo-3-(difluoromethyl)-1,5-difluorobenzene?
The InChIKey is CBBWNFGOUKDGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Br2F4/c8-5-2(10)1-3(11)6(9)4(5)7(12)13/h1,7H.
What are the key properties of 2,4-dibromo-3-(difluoromethyl)-1,5-difluorobenzene?
2,4-dibromo-3-(difluoromethyl)-1,5-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 2,4-dibromo-3-(difluoromethyl)-1,5-difluorobenzene is sourced from PubChem (CID 119021867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).