1-bromo-4-fluoro-3-methoxy-2-(trifluoromethyl)benzene

C8H5BrF4O — CID 131371820

IUPAC1-bromo-4-fluoro-3-methoxy-2-(trifluoromethyl)benzene
SMILESCOc1c(F)ccc(Br)c1C(F)(F)F
InChIInChI=1S/C8H5BrF4O/c1-14-7-5(10)3-2-4(9)6(7)8(11,12)13/h2-3H,1H3
InChIKeyIOKYXCNRMUXOHQ-UHFFFAOYSA-N
MW273.02 g/mol
LogP3.62
Rot. Bonds1

About 1-bromo-4-fluoro-3-methoxy-2-(trifluoromethyl)benzene

1-bromo-4-fluoro-3-methoxy-2-(trifluoromethyl)benzene (PubChem CID 131371820) has the molecular formula C8H5BrF4O and a molecular weight of 273.02 g/mol. Its IUPAC name is 1-bromo-4-fluoro-3-methoxy-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-fluoro-3-methoxy-2-(trifluoromethyl)benzene
PubChem CID131371820
Molecular FormulaC8H5BrF4O
Molecular Weight273.02 g/mol
Exact Mass271.95
IUPAC Name1-bromo-4-fluoro-3-methoxy-2-(trifluoromethyl)benzene
SMILESCOc1c(F)ccc(Br)c1C(F)(F)F
InChIInChI=1S/C8H5BrF4O/c1-14-7-5(10)3-2-4(9)6(7)8(11,12)13/h2-3H,1H3
InChIKeyIOKYXCNRMUXOHQ-UHFFFAOYSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.02
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-4-fluoro-2,3-dimethoxybenzene
CID 58420229
1-bromo-2,4-difluoro-3-methoxybenzene
CID 18371109
6-bromo-3-fluoro-2-methoxybenzenethiol
CID 171005789
3-bromo-6-fluoro-2-(trifluoromethyl)benzenethiol
CID 171008441
1-bromo-4-fluoro-2-methoxy-3-propan-2-yloxybenzene
CID 155293778
1-bromo-4-methyl-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 171008829
1-(6-bromo-3-fluoro-2-methoxyphenyl)ethanol
CID 84706864
1-[3-bromo-6-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 131371837
1-bromo-3-fluoro-5-methoxy-2-(trifluoromethyl)benzene
CID 171000164
1,4-dibromo-2,3-dimethoxybenzene
CID 15784959
3-bromo-6-fluoro-2-(trifluoromethyl)benzonitrile
CID 131335396
2-(6-bromo-2-fluoro-3-methoxyphenyl)-1,1,1-trifluoropropan-2-ol
CID 171366026

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-fluoro-3-methoxy-2-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-4-fluoro-3-methoxy-2-(trifluoromethyl)benzene (CID 131371820) is 1-bromo-4-fluoro-3-methoxy-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-4-fluoro-3-methoxy-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-4-fluoro-3-methoxy-2-(trifluoromethyl)benzene is COc1c(F)ccc(Br)c1C(F)(F)F.
What is the InChIKey of 1-bromo-4-fluoro-3-methoxy-2-(trifluoromethyl)benzene?
The InChIKey is IOKYXCNRMUXOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF4O/c1-14-7-5(10)3-2-4(9)6(7)8(11,12)13/h2-3H,1H3.
What are the key properties of 1-bromo-4-fluoro-3-methoxy-2-(trifluoromethyl)benzene?
1-bromo-4-fluoro-3-methoxy-2-(trifluoromethyl)benzene has a molecular weight of 273.02 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-fluoro-3-methoxy-2-(trifluoromethyl)benzene is sourced from PubChem (CID 131371820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).