4-bromo-1-chloro-2-(trifluoromethoxy)benzene

C7H3BrClF3O — CID 22730202

IUPAC4-bromo-1-chloro-2-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cc(Br)ccc1Cl
InChIInChI=1S/C7H3BrClF3O/c8-4-1-2-5(9)6(3-4)13-7(10,11)12/h1-3H
InChIKeyRIYJUHWBFADNIE-UHFFFAOYSA-N
MW275.45 g/mol
LogP4.00
Rot. Bonds1

About 4-bromo-1-chloro-2-(trifluoromethoxy)benzene

4-bromo-1-chloro-2-(trifluoromethoxy)benzene (PubChem CID 22730202) has the molecular formula C7H3BrClF3O and a molecular weight of 275.45 g/mol. Its IUPAC name is 4-bromo-1-chloro-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name4-bromo-1-chloro-2-(trifluoromethoxy)benzene
PubChem CID22730202
Molecular FormulaC7H3BrClF3O
Molecular Weight275.45 g/mol
Exact Mass273.90
IUPAC Name4-bromo-1-chloro-2-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cc(Br)ccc1Cl
InChIInChI=1S/C7H3BrClF3O/c8-4-1-2-5(9)6(3-4)13-7(10,11)12/h1-3H
InChIKeyRIYJUHWBFADNIE-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Bromo-2-chloroanisole
CID 3016537
2-Bromo-6-chloroanisole
CID 23433617
5-Bromo-2-chloroanisole
CID 2769567
1-Chloro-2-(trifluoromethoxy)benzene
CID 2782782
4-Bromo-2-chloro-1-(trifluoromethoxy)benzene
CID 18350457
2-Bromo-1-chloro-4-(trifluoromethoxy)benzene
CID 2761405
5-Bromo-1-chloro-3-fluoro-2-methoxybenzene
CID 2773260
5-Bromo-2-chloro-4-fluoroanisole
CID 10220378
3-Bromo-5-chloro-1-(trifluoromethoxy)benzene
CID 20269852
4-Bromo-2-chloro-1-(difluoromethoxy)benzene
CID 46311538
4-Bromo-1-chloro-2-ethoxybenzene
CID 50998187
1-Bromo-2-chloro-4-(trifluoromethoxy)benzene
CID 53414034

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-chloro-2-(trifluoromethoxy)benzene?
The IUPAC name of 4-bromo-1-chloro-2-(trifluoromethoxy)benzene (CID 22730202) is 4-bromo-1-chloro-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 4-bromo-1-chloro-2-(trifluoromethoxy)benzene?
The canonical SMILES for 4-bromo-1-chloro-2-(trifluoromethoxy)benzene is FC(F)(F)Oc1cc(Br)ccc1Cl.
What is the InChIKey of 4-bromo-1-chloro-2-(trifluoromethoxy)benzene?
The InChIKey is RIYJUHWBFADNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClF3O/c8-4-1-2-5(9)6(3-4)13-7(10,11)12/h1-3H.
What are the key properties of 4-bromo-1-chloro-2-(trifluoromethoxy)benzene?
4-bromo-1-chloro-2-(trifluoromethoxy)benzene has a molecular weight of 275.45 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-chloro-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 22730202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).