1-bromo-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene

C13H7BrF4O — CID 155293542

IUPAC1-bromo-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene
SMILESFc1cc(-c2cccc(OC(F)(F)F)c2)ccc1Br
InChIInChI=1S/C13H7BrF4O/c14-11-5-4-9(7-12(11)15)8-2-1-3-10(6-8)19-13(16,17)18/h1-7H
InChIKeyQQKTZKOGRZFMJP-UHFFFAOYSA-N
MW335.09 g/mol
LogP5.15
Rot. Bonds2

About 1-bromo-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene

1-bromo-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene (PubChem CID 155293542) has the molecular formula C13H7BrF4O and a molecular weight of 335.09 g/mol. Its IUPAC name is 1-bromo-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1-bromo-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene
PubChem CID155293542
Molecular FormulaC13H7BrF4O
Molecular Weight335.09 g/mol
Exact Mass333.96
IUPAC Name1-bromo-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene
SMILESFc1cc(-c2cccc(OC(F)(F)F)c2)ccc1Br
InChIInChI=1S/C13H7BrF4O/c14-11-5-4-9(7-12(11)15)8-2-1-3-10(6-8)19-13(16,17)18/h1-7H
InChIKeyQQKTZKOGRZFMJP-UHFFFAOYSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.09
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-1-nitro-4-[3-(trifluoromethoxy)phenyl]benzene
CID 134626876
1-(chloromethyl)-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene
CID 118811245
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
1-fluoro-2-methoxy-4-[3-(trifluoromethoxy)phenyl]benzene
CID 118821679
methyl 2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoate
CID 134635067
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
CID 22355337
3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 52937146
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134622409
3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 133089266

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 1-bromo-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene (CID 155293542) is 1-bromo-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1-bromo-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 1-bromo-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene is Fc1cc(-c2cccc(OC(F)(F)F)c2)ccc1Br.
What is the InChIKey of 1-bromo-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene?
The InChIKey is QQKTZKOGRZFMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF4O/c14-11-5-4-9(7-12(11)15)8-2-1-3-10(6-8)19-13(16,17)18/h1-7H.
What are the key properties of 1-bromo-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene?
1-bromo-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene has a molecular weight of 335.09 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 155293542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).