2-bromo-5-chloro-1-methyl-3-(trifluoromethyl)benzene

C8H5BrClF3 — CID 59146273

IUPAC2-bromo-5-chloro-1-methyl-3-(trifluoromethyl)benzene
SMILESCc1cc(Cl)cc(C(F)(F)F)c1Br
InChIInChI=1S/C8H5BrClF3/c1-4-2-5(10)3-6(7(4)9)8(11,12)13/h2-3H,1H3
InChIKeyKQLQALKNQVWDTN-UHFFFAOYSA-N
MW273.48 g/mol
LogP4.43
Rot. Bonds

About 2-bromo-5-chloro-1-methyl-3-(trifluoromethyl)benzene

2-bromo-5-chloro-1-methyl-3-(trifluoromethyl)benzene (PubChem CID 59146273) has the molecular formula C8H5BrClF3 and a molecular weight of 273.48 g/mol. Its IUPAC name is 2-bromo-5-chloro-1-methyl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-bromo-5-chloro-1-methyl-3-(trifluoromethyl)benzene
PubChem CID59146273
Molecular FormulaC8H5BrClF3
Molecular Weight273.48 g/mol
Exact Mass271.92
IUPAC Name2-bromo-5-chloro-1-methyl-3-(trifluoromethyl)benzene
SMILESCc1cc(Cl)cc(C(F)(F)F)c1Br
InChIInChI=1S/C8H5BrClF3/c1-4-2-5(10)3-6(7(4)9)8(11,12)13/h2-3H,1H3
InChIKeyKQLQALKNQVWDTN-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.48
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 84476
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CID 136172
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CID 66158069
2-Bromo-5-chloro-1,3-dimethylbenzene
CID 5324738
1-(Bromomethyl)-3-chloro-5-(trifluoromethyl)benzene
CID 3714672
2-Bromo-1-chloro-3-(trifluoromethyl)benzene
CID 17750574
2-Bromo-1-chloro-5-fluoro-3-(trifluoromethyl)benzene
CID 45358381
2-Bromo-1,5-dichloro-3-methylbenzene
CID 56604775
1-Bromo-2-chloro-4-(1,1-difluoroethyl)benzene
CID 84708621
1-Bromo-4-chloro-2-ethynylbenzene
CID 104277764
1-Bromo-4-chloro-2-(difluoromethyl)benzene
CID 118844257
1-(Bromomethyl)-5-chloro-2-fluoro-3-(trifluoromethyl)benzene
CID 131431180

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-1-methyl-3-(trifluoromethyl)benzene?
The IUPAC name of 2-bromo-5-chloro-1-methyl-3-(trifluoromethyl)benzene (CID 59146273) is 2-bromo-5-chloro-1-methyl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 2-bromo-5-chloro-1-methyl-3-(trifluoromethyl)benzene?
The canonical SMILES for 2-bromo-5-chloro-1-methyl-3-(trifluoromethyl)benzene is Cc1cc(Cl)cc(C(F)(F)F)c1Br.
What is the InChIKey of 2-bromo-5-chloro-1-methyl-3-(trifluoromethyl)benzene?
The InChIKey is KQLQALKNQVWDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF3/c1-4-2-5(10)3-6(7(4)9)8(11,12)13/h2-3H,1H3.
What are the key properties of 2-bromo-5-chloro-1-methyl-3-(trifluoromethyl)benzene?
2-bromo-5-chloro-1-methyl-3-(trifluoromethyl)benzene has a molecular weight of 273.48 g/mol, XLogP of 4.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-1-methyl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 59146273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).