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

C7H3BrClF3 — CID 3283173

IUPAC1-bromo-2-chloro-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(Br)c1Cl
InChIInChI=1S/C7H3BrClF3/c8-5-3-1-2-4(6(5)9)7(10,11)12/h1-3H
InChIKeyDWTJMEQXGJMZMM-UHFFFAOYSA-N
MW259.45 g/mol
LogP4.12
Rot. Bonds

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

1-bromo-2-chloro-3-(trifluoromethyl)benzene (PubChem CID 3283173) has the molecular formula C7H3BrClF3 and a molecular weight of 259.45 g/mol. Its IUPAC name is 1-bromo-2-chloro-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-2-chloro-3-(trifluoromethyl)benzene
PubChem CID3283173
Molecular FormulaC7H3BrClF3
Molecular Weight259.45 g/mol
Exact Mass257.91
IUPAC Name1-bromo-2-chloro-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(Br)c1Cl
InChIInChI=1S/C7H3BrClF3/c8-5-3-1-2-4(6(5)9)7(10,11)12/h1-3H
InChIKeyDWTJMEQXGJMZMM-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.45
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-3-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-2-chloro-3-(trifluoromethyl)benzene (CID 3283173) is 1-bromo-2-chloro-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-2-chloro-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-2-chloro-3-(trifluoromethyl)benzene is FC(F)(F)c1cccc(Br)c1Cl.
What is the InChIKey of 1-bromo-2-chloro-3-(trifluoromethyl)benzene?
The InChIKey is DWTJMEQXGJMZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClF3/c8-5-3-1-2-4(6(5)9)7(10,11)12/h1-3H.
What are the key properties of 1-bromo-2-chloro-3-(trifluoromethyl)benzene?
1-bromo-2-chloro-3-(trifluoromethyl)benzene has a molecular weight of 259.45 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-3-(trifluoromethyl)benzene is sourced from PubChem (CID 3283173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).