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

C8H5BrF4 — CID 155463935

IUPAC1-bromo-5-fluoro-2-methyl-3-(trifluoromethyl)benzene
SMILESCc1c(Br)cc(F)cc1C(F)(F)F
InChIInChI=1S/C8H5BrF4/c1-4-6(8(11,12)13)2-5(10)3-7(4)9/h2-3H,1H3
InChIKeyVXFAPOFSBJRYEB-UHFFFAOYSA-N
MW257.02 g/mol
LogP3.92
Rot. Bonds

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

1-bromo-5-fluoro-2-methyl-3-(trifluoromethyl)benzene (PubChem CID 155463935) has the molecular formula C8H5BrF4 and a molecular weight of 257.02 g/mol. Its IUPAC name is 1-bromo-5-fluoro-2-methyl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-5-fluoro-2-methyl-3-(trifluoromethyl)benzene
PubChem CID155463935
Molecular FormulaC8H5BrF4
Molecular Weight257.02 g/mol
Exact Mass255.95
IUPAC Name1-bromo-5-fluoro-2-methyl-3-(trifluoromethyl)benzene
SMILESCc1c(Br)cc(F)cc1C(F)(F)F
InChIInChI=1S/C8H5BrF4/c1-4-6(8(11,12)13)2-5(10)3-7(4)9/h2-3H,1H3
InChIKeyVXFAPOFSBJRYEB-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.02
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-fluoro-2-methyl-3-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-5-fluoro-2-methyl-3-(trifluoromethyl)benzene (CID 155463935) is 1-bromo-5-fluoro-2-methyl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-5-fluoro-2-methyl-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-5-fluoro-2-methyl-3-(trifluoromethyl)benzene is Cc1c(Br)cc(F)cc1C(F)(F)F.
What is the InChIKey of 1-bromo-5-fluoro-2-methyl-3-(trifluoromethyl)benzene?
The InChIKey is VXFAPOFSBJRYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF4/c1-4-6(8(11,12)13)2-5(10)3-7(4)9/h2-3H,1H3.
What are the key properties of 1-bromo-5-fluoro-2-methyl-3-(trifluoromethyl)benzene?
1-bromo-5-fluoro-2-methyl-3-(trifluoromethyl)benzene has a molecular weight of 257.02 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-fluoro-2-methyl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 155463935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).