5-bromo-1-fluoro-2,3-dimethylbenzene;ethane

C10H14BrF — CID 171643506

IUPAC5-bromo-1-fluoro-2,3-dimethylbenzene;ethane
SMILESCC.Cc1cc(Br)cc(F)c1C
InChIInChI=1S/C8H8BrF.C2H6/c1-5-3-7(9)4-8(10)6(5)2;1-2/h3-4H,1-2H3;1-2H3
InChIKeyMSAQPSGQQFPOKR-UHFFFAOYSA-N
MW233.12 g/mol
LogP4.23
Rot. Bonds

About 5-bromo-1-fluoro-2,3-dimethylbenzene;ethane

5-bromo-1-fluoro-2,3-dimethylbenzene;ethane (PubChem CID 171643506) has the molecular formula C10H14BrF and a molecular weight of 233.12 g/mol. Its IUPAC name is 5-bromo-1-fluoro-2,3-dimethylbenzene;ethane.

Molecular Properties

Compound Name5-bromo-1-fluoro-2,3-dimethylbenzene;ethane
PubChem CID171643506
Molecular FormulaC10H14BrF
Molecular Weight233.12 g/mol
Exact Mass232.03
IUPAC Name5-bromo-1-fluoro-2,3-dimethylbenzene;ethane
SMILESCC.Cc1cc(Br)cc(F)c1C
InChIInChI=1S/C8H8BrF.C2H6/c1-5-3-7(9)4-8(10)6(5)2;1-2/h3-4H,1-2H3;1-2H3
InChIKeyMSAQPSGQQFPOKR-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.12
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-bromo-1,3-difluoro-2-methylbenzene;propane
CID 142352464
2,5-dibromo-1-fluoro-3-methylbenzene
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4-bromo-1,2-difluorobenzene;5-bromo-1,2-difluoro-3-methylbenzene
CID 160943095
4-bromo-2-fluoro-6-methylbenzamide
CID 59473773
4-bromo-1-fluoro-2-methylbenzene;4-bromo-2-fluoro-1-methylbenzene
CID 160825147
5-bromo-1,3-difluoro-2-methoxybenzene;ethane
CID 144516394
2-(5-bromo-3-fluoro-2-methylphenyl)acetonitrile
CID 131628335
1-(4-bromo-2,6-difluorophenyl)ethanamine
CID 67403497
5-(difluoromethyl)-1-fluoro-2,3-dimethylbenzene
CID 130837151
5-bromo-2-fluoro-1-methyl-3-methylsulfonylbenzene
CID 164895083
5-bromo-7-fluoro-3-methyl-1-benzofuran
CID 70977139
2-(4-bromo-2-fluoro-6-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164895573

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-fluoro-2,3-dimethylbenzene;ethane?
The IUPAC name of 5-bromo-1-fluoro-2,3-dimethylbenzene;ethane (CID 171643506) is 5-bromo-1-fluoro-2,3-dimethylbenzene;ethane.
What is the SMILES notation for 5-bromo-1-fluoro-2,3-dimethylbenzene;ethane?
The canonical SMILES for 5-bromo-1-fluoro-2,3-dimethylbenzene;ethane is CC.Cc1cc(Br)cc(F)c1C.
What is the InChIKey of 5-bromo-1-fluoro-2,3-dimethylbenzene;ethane?
The InChIKey is MSAQPSGQQFPOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF.C2H6/c1-5-3-7(9)4-8(10)6(5)2;1-2/h3-4H,1-2H3;1-2H3.
What are the key properties of 5-bromo-1-fluoro-2,3-dimethylbenzene;ethane?
5-bromo-1-fluoro-2,3-dimethylbenzene;ethane has a molecular weight of 233.12 g/mol, XLogP of 4.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-fluoro-2,3-dimethylbenzene;ethane is sourced from PubChem (CID 171643506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).