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

C8H5BrClF3O — CID 74891322

IUPAC5-bromo-1-chloro-2-methoxy-3-(trifluoromethyl)benzene
SMILESCOc1c(Cl)cc(Br)cc1C(F)(F)F
InChIInChI=1S/C8H5BrClF3O/c1-14-7-5(8(11,12)13)2-4(9)3-6(7)10/h2-3H,1H3
InChIKeyUDTMGKANNIRNIY-UHFFFAOYSA-N
MW289.48 g/mol
LogP4.13
Rot. Bonds1

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

5-bromo-1-chloro-2-methoxy-3-(trifluoromethyl)benzene (PubChem CID 74891322) has the molecular formula C8H5BrClF3O and a molecular weight of 289.48 g/mol. Its IUPAC name is 5-bromo-1-chloro-2-methoxy-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-bromo-1-chloro-2-methoxy-3-(trifluoromethyl)benzene
PubChem CID74891322
Molecular FormulaC8H5BrClF3O
Molecular Weight289.48 g/mol
Exact Mass287.92
IUPAC Name5-bromo-1-chloro-2-methoxy-3-(trifluoromethyl)benzene
SMILESCOc1c(Cl)cc(Br)cc1C(F)(F)F
InChIInChI=1S/C8H5BrClF3O/c1-14-7-5(8(11,12)13)2-4(9)3-6(7)10/h2-3H,1H3
InChIKeyUDTMGKANNIRNIY-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.48
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-chloro-2-methoxy-3-(trifluoromethyl)benzene?
The IUPAC name of 5-bromo-1-chloro-2-methoxy-3-(trifluoromethyl)benzene (CID 74891322) is 5-bromo-1-chloro-2-methoxy-3-(trifluoromethyl)benzene.
What is the SMILES notation for 5-bromo-1-chloro-2-methoxy-3-(trifluoromethyl)benzene?
The canonical SMILES for 5-bromo-1-chloro-2-methoxy-3-(trifluoromethyl)benzene is COc1c(Cl)cc(Br)cc1C(F)(F)F.
What is the InChIKey of 5-bromo-1-chloro-2-methoxy-3-(trifluoromethyl)benzene?
The InChIKey is UDTMGKANNIRNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF3O/c1-14-7-5(8(11,12)13)2-4(9)3-6(7)10/h2-3H,1H3.
What are the key properties of 5-bromo-1-chloro-2-methoxy-3-(trifluoromethyl)benzene?
5-bromo-1-chloro-2-methoxy-3-(trifluoromethyl)benzene has a molecular weight of 289.48 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-chloro-2-methoxy-3-(trifluoromethyl)benzene is sourced from PubChem (CID 74891322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).