2,4-dibromo-1-ethyl-3,5-difluorobenzene

C8H6Br2F2 — CID 118836031

IUPAC2,4-dibromo-1-ethyl-3,5-difluorobenzene
SMILESCCc1cc(F)c(Br)c(F)c1Br
InChIInChI=1S/C8H6Br2F2/c1-2-4-3-5(11)7(10)8(12)6(4)9/h3H,2H2,1H3
InChIKeyQUHSDMQOOGMYFO-UHFFFAOYSA-N
MW299.94 g/mol
LogP4.05
Rot. Bonds1

About 2,4-dibromo-1-ethyl-3,5-difluorobenzene

2,4-dibromo-1-ethyl-3,5-difluorobenzene (PubChem CID 118836031) has the molecular formula C8H6Br2F2 and a molecular weight of 299.94 g/mol. Its IUPAC name is 2,4-dibromo-1-ethyl-3,5-difluorobenzene.

Molecular Properties

Compound Name2,4-dibromo-1-ethyl-3,5-difluorobenzene
PubChem CID118836031
Molecular FormulaC8H6Br2F2
Molecular Weight299.94 g/mol
Exact Mass297.88
IUPAC Name2,4-dibromo-1-ethyl-3,5-difluorobenzene
SMILESCCc1cc(F)c(Br)c(F)c1Br
InChIInChI=1S/C8H6Br2F2/c1-2-4-3-5(11)7(10)8(12)6(4)9/h3H,2H2,1H3
InChIKeyQUHSDMQOOGMYFO-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.94
LogP ≤ 54.05
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

3-bromo-1-ethyl-2,4-difluorobenzene
CID 126670968
4-bromo-3-ethyl-5-fluorophenol
CID 130749007
1,2-dibromo-3-ethyl-5-fluorobenzene
CID 118830275
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
3-bromo-2-ethenyl-1-ethyl-4-fluorobenzene
CID 167144100
1-(4-bromo-2,3,5-trifluorophenyl)propan-2-ol
CID 117114546
2-bromo-1-(diethoxyphosphorylmethyl)-3,4-difluorobenzene
CID 171157622
3-(4-bromo-3,5-difluoro-2-methoxyphenyl)propanal
CID 117447255
N-[(4-bromo-2,3,5-trifluorophenyl)methyl]hydroxylamine
CID 117111115
2-bromo-1-(bromomethyl)-3-ethyl-4-fluorobenzene
CID 130140582
(2-bromo-3,4,5-trifluorophenyl)methanol
CID 89016097
methyl 2-(3,4-dibromo-2,5-difluorophenyl)acetate
CID 121228008

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-ethyl-3,5-difluorobenzene?
The IUPAC name of 2,4-dibromo-1-ethyl-3,5-difluorobenzene (CID 118836031) is 2,4-dibromo-1-ethyl-3,5-difluorobenzene.
What is the SMILES notation for 2,4-dibromo-1-ethyl-3,5-difluorobenzene?
The canonical SMILES for 2,4-dibromo-1-ethyl-3,5-difluorobenzene is CCc1cc(F)c(Br)c(F)c1Br.
What is the InChIKey of 2,4-dibromo-1-ethyl-3,5-difluorobenzene?
The InChIKey is QUHSDMQOOGMYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2F2/c1-2-4-3-5(11)7(10)8(12)6(4)9/h3H,2H2,1H3.
What are the key properties of 2,4-dibromo-1-ethyl-3,5-difluorobenzene?
2,4-dibromo-1-ethyl-3,5-difluorobenzene has a molecular weight of 299.94 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1-ethyl-3,5-difluorobenzene is sourced from PubChem (CID 118836031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).