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

C10H14BrF — CID 142302945

IUPAC2-bromo-1-fluoro-3,5-dimethylbenzene;ethane
SMILESCC.Cc1cc(C)c(Br)c(F)c1
InChIInChI=1S/C8H8BrF.C2H6/c1-5-3-6(2)8(9)7(10)4-5;1-2/h3-4H,1-2H3;1-2H3
InChIKeyMMXROWCXBYNNOZ-UHFFFAOYSA-N
MW233.12 g/mol
LogP4.23
Rot. Bonds

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

2-bromo-1-fluoro-3,5-dimethylbenzene;ethane (PubChem CID 142302945) has the molecular formula C10H14BrF and a molecular weight of 233.12 g/mol. Its IUPAC name is 2-bromo-1-fluoro-3,5-dimethylbenzene;ethane.

Molecular Properties

Compound Name2-bromo-1-fluoro-3,5-dimethylbenzene;ethane
PubChem CID142302945
Molecular FormulaC10H14BrF
Molecular Weight233.12 g/mol
Exact Mass232.03
IUPAC Name2-bromo-1-fluoro-3,5-dimethylbenzene;ethane
SMILESCC.Cc1cc(C)c(Br)c(F)c1
InChIInChI=1S/C8H8BrF.C2H6/c1-5-3-6(2)8(9)7(10)4-5;1-2/h3-4H,1-2H3;1-2H3
InChIKeyMMXROWCXBYNNOZ-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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-fluoro-3,5-dimethylbenzene;ethane?
The IUPAC name of 2-bromo-1-fluoro-3,5-dimethylbenzene;ethane (CID 142302945) is 2-bromo-1-fluoro-3,5-dimethylbenzene;ethane.
What is the SMILES notation for 2-bromo-1-fluoro-3,5-dimethylbenzene;ethane?
The canonical SMILES for 2-bromo-1-fluoro-3,5-dimethylbenzene;ethane is CC.Cc1cc(C)c(Br)c(F)c1.
What is the InChIKey of 2-bromo-1-fluoro-3,5-dimethylbenzene;ethane?
The InChIKey is MMXROWCXBYNNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF.C2H6/c1-5-3-6(2)8(9)7(10)4-5;1-2/h3-4H,1-2H3;1-2H3.
What are the key properties of 2-bromo-1-fluoro-3,5-dimethylbenzene;ethane?
2-bromo-1-fluoro-3,5-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 2-bromo-1-fluoro-3,5-dimethylbenzene;ethane is sourced from PubChem (CID 142302945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).