1,3-dibromo-2-methyl-5-(trifluoromethyl)benzene;ethane

C10H11Br2F3 — CID 144858961

IUPAC1,3-dibromo-2-methyl-5-(trifluoromethyl)benzene;ethane
SMILESCC.Cc1c(Br)cc(C(F)(F)F)cc1Br
InChIInChI=1S/C8H5Br2F3.C2H6/c1-4-6(9)2-5(3-7(4)10)8(11,12)13;1-2/h2-3H,1H3;1-2H3
InChIKeyAWBBMSYOPDDPFU-UHFFFAOYSA-N
MW348.00 g/mol
LogP5.57
Rot. Bonds

About 1,3-dibromo-2-methyl-5-(trifluoromethyl)benzene;ethane

1,3-dibromo-2-methyl-5-(trifluoromethyl)benzene;ethane (PubChem CID 144858961) has the molecular formula C10H11Br2F3 and a molecular weight of 348.00 g/mol. Its IUPAC name is 1,3-dibromo-2-methyl-5-(trifluoromethyl)benzene;ethane.

Molecular Properties

Compound Name1,3-dibromo-2-methyl-5-(trifluoromethyl)benzene;ethane
PubChem CID144858961
Molecular FormulaC10H11Br2F3
Molecular Weight348.00 g/mol
Exact Mass345.92
IUPAC Name1,3-dibromo-2-methyl-5-(trifluoromethyl)benzene;ethane
SMILESCC.Cc1c(Br)cc(C(F)(F)F)cc1Br
InChIInChI=1S/C8H5Br2F3.C2H6/c1-4-6(9)2-5(3-7(4)10)8(11,12)13;1-2/h2-3H,1H3;1-2H3
InChIKeyAWBBMSYOPDDPFU-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.00
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-[1-[3,5-bis(trifluoromethyl)phenyl]-1-(3-bromo-4,5-dimethylphenyl)-2,2,2-trifluoroethyl]-1-bromo-2,3-dimethylbenzene
CID 177252500
2-bromo-1-methyl-4-(trifluoromethyl)benzene
CID 2779376
1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301
1-bromo-5-(bromomethyl)-2-methyl-3-(trifluoromethyl)benzene
CID 146676150
3-bromo-5-(trifluoromethyl)benzene-1,2-diol
CID 59643037
3-bromo-2,5-bis(trifluoromethyl)benzenethiol
CID 118990966
4-bromo-2-methyl-6-(trifluoromethyl)-1H-indene
CID 140504781
8-bromo-3-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 83791604
2-bromo-1-(bromomethyl)-4-(trifluoromethyl)benzene;2-bromo-1-methyl-4-(trifluoromethyl)benzene
CID 159745589
1-bromo-5-fluoro-2-methyl-3-(trifluoromethyl)benzene
CID 155463935
2,3-dimethyl-5-(trifluoromethyl)phenol
CID 130769403
(1S)-1-[2-bromo-4-(trifluoromethyl)phenyl]ethanamine
CID 131172048

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2-methyl-5-(trifluoromethyl)benzene;ethane?
The IUPAC name of 1,3-dibromo-2-methyl-5-(trifluoromethyl)benzene;ethane (CID 144858961) is 1,3-dibromo-2-methyl-5-(trifluoromethyl)benzene;ethane.
What is the SMILES notation for 1,3-dibromo-2-methyl-5-(trifluoromethyl)benzene;ethane?
The canonical SMILES for 1,3-dibromo-2-methyl-5-(trifluoromethyl)benzene;ethane is CC.Cc1c(Br)cc(C(F)(F)F)cc1Br.
What is the InChIKey of 1,3-dibromo-2-methyl-5-(trifluoromethyl)benzene;ethane?
The InChIKey is AWBBMSYOPDDPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2F3.C2H6/c1-4-6(9)2-5(3-7(4)10)8(11,12)13;1-2/h2-3H,1H3;1-2H3.
What are the key properties of 1,3-dibromo-2-methyl-5-(trifluoromethyl)benzene;ethane?
1,3-dibromo-2-methyl-5-(trifluoromethyl)benzene;ethane has a molecular weight of 348.00 g/mol, XLogP of 5.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2-methyl-5-(trifluoromethyl)benzene;ethane is sourced from PubChem (CID 144858961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).