1,2-dibromo-3-ethyl-5-fluorobenzene

C8H7Br2F — CID 118830275

IUPAC1,2-dibromo-3-ethyl-5-fluorobenzene
SMILESCCc1cc(F)cc(Br)c1Br
InChIInChI=1S/C8H7Br2F/c1-2-5-3-6(11)4-7(9)8(5)10/h3-4H,2H2,1H3
InChIKeySYYSFEKHVMNDIZ-UHFFFAOYSA-N
MW281.95 g/mol
LogP3.91
Rot. Bonds1

About 1,2-dibromo-3-ethyl-5-fluorobenzene

1,2-dibromo-3-ethyl-5-fluorobenzene (PubChem CID 118830275) has the molecular formula C8H7Br2F and a molecular weight of 281.95 g/mol. Its IUPAC name is 1,2-dibromo-3-ethyl-5-fluorobenzene.

Molecular Properties

Compound Name1,2-dibromo-3-ethyl-5-fluorobenzene
PubChem CID118830275
Molecular FormulaC8H7Br2F
Molecular Weight281.95 g/mol
Exact Mass279.89
IUPAC Name1,2-dibromo-3-ethyl-5-fluorobenzene
SMILESCCc1cc(F)cc(Br)c1Br
InChIInChI=1S/C8H7Br2F/c1-2-5-3-6(11)4-7(9)8(5)10/h3-4H,2H2,1H3
InChIKeySYYSFEKHVMNDIZ-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.95
LogP ≤ 53.91
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-(2-bromo-6-ethyl-4-fluorophenyl)-2-methylpropan-1-one
CID 167085675
2-bromo-5-fluoro-1,3-dipropylbenzene
CID 137443449
2,4-dibromo-1-ethyl-3,5-difluorobenzene
CID 118836031
8-bromo-2-chloro-3-ethyl-6-fluoroquinoline
CID 63231922
(3-bromo-2,5-difluorophenyl)methanesulfonyl chloride
CID 117490895
4-bromo-3-ethyl-5-fluorophenol
CID 130749007
2-(3-bromo-5-fluoro-2-iodophenyl)acetic acid
CID 131621164
(3-bromo-2,5-difluorophenyl)methanol
CID 66657412
1-bromo-2-ethyl-4,5-dimethylbenzene
CID 90213759
1,2-dibromo-5-fluoro-3-iodobenzene
CID 118830393
1,2-dibromo-3-(fluoromethyl)benzene;1,3-dibromo-5-fluoro-2-methylbenzene
CID 90853447
1-bromo-4-ethyl-5-fluoro-2-methoxybenzene
CID 144671819

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-3-ethyl-5-fluorobenzene?
The IUPAC name of 1,2-dibromo-3-ethyl-5-fluorobenzene (CID 118830275) is 1,2-dibromo-3-ethyl-5-fluorobenzene.
What is the SMILES notation for 1,2-dibromo-3-ethyl-5-fluorobenzene?
The canonical SMILES for 1,2-dibromo-3-ethyl-5-fluorobenzene is CCc1cc(F)cc(Br)c1Br.
What is the InChIKey of 1,2-dibromo-3-ethyl-5-fluorobenzene?
The InChIKey is SYYSFEKHVMNDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2F/c1-2-5-3-6(11)4-7(9)8(5)10/h3-4H,2H2,1H3.
What are the key properties of 1,2-dibromo-3-ethyl-5-fluorobenzene?
1,2-dibromo-3-ethyl-5-fluorobenzene has a molecular weight of 281.95 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-3-ethyl-5-fluorobenzene is sourced from PubChem (CID 118830275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).