1-bromo-2-fluoro-5-methoxy-4-(2,2,2-trifluoroethoxy)benzene

C9H7BrF4O2 — CID 155923682

IUPAC1-bromo-2-fluoro-5-methoxy-4-(2,2,2-trifluoroethoxy)benzene
SMILESCOc1cc(Br)c(F)cc1OCC(F)(F)F
InChIInChI=1S/C9H7BrF4O2/c1-15-7-2-5(10)6(11)3-8(7)16-4-9(12,13)14/h2-3H,4H2,1H3
InChIKeyZXVOJMUZHLYBOS-UHFFFAOYSA-N
MW303.05 g/mol
LogP3.54
Rot. Bonds3

About 1-bromo-2-fluoro-5-methoxy-4-(2,2,2-trifluoroethoxy)benzene

1-bromo-2-fluoro-5-methoxy-4-(2,2,2-trifluoroethoxy)benzene (PubChem CID 155923682) has the molecular formula C9H7BrF4O2 and a molecular weight of 303.05 g/mol. Its IUPAC name is 1-bromo-2-fluoro-5-methoxy-4-(2,2,2-trifluoroethoxy)benzene.

Molecular Properties

Compound Name1-bromo-2-fluoro-5-methoxy-4-(2,2,2-trifluoroethoxy)benzene
PubChem CID155923682
Molecular FormulaC9H7BrF4O2
Molecular Weight303.05 g/mol
Exact Mass301.96
IUPAC Name1-bromo-2-fluoro-5-methoxy-4-(2,2,2-trifluoroethoxy)benzene
SMILESCOc1cc(Br)c(F)cc1OCC(F)(F)F
InChIInChI=1S/C9H7BrF4O2/c1-15-7-2-5(10)6(11)3-8(7)16-4-9(12,13)14/h2-3H,4H2,1H3
InChIKeyZXVOJMUZHLYBOS-UHFFFAOYSA-N
XLogP3.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.05
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-bromo-2-fluoro-5-methoxy-4-(2,2,2-trifluoroethoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-dibromo-2-fluoro-5-(2,2,2-trifluoroethoxy)benzene
CID 169337045
1-bromo-4-ethoxy-2-fluoro-5-methoxybenzene
CID 69098703
1-bromo-2-fluoro-5-methoxy-4-(2-methylpropoxy)benzene
CID 155923679
1-bromo-2,4-difluoro-5-methoxybenzene
CID 68809379
1-bromo-2,4-difluoro-5-methoxybenzene;1,5-dibromo-2,4-difluorobenzene
CID 160948339
5-fluoro-4-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 63599497
4-(bromomethyl)-2-methoxy-1-(2,2,2-trifluoroethoxy)benzene
CID 43141747
4-methoxy-3-(2,2,2-trifluoroethoxy)phenol
CID 167312142
2-amino-4-methoxy-5-(2,2,2-trifluoroethoxy)benzoic acid
CID 43380092
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
3-bromo-5-methoxy-4-(2,2,2-trifluoroethoxy)benzoic acid
CID 43622512
[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 16776854

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-fluoro-5-methoxy-4-(2,2,2-trifluoroethoxy)benzene?
The IUPAC name of 1-bromo-2-fluoro-5-methoxy-4-(2,2,2-trifluoroethoxy)benzene (CID 155923682) is 1-bromo-2-fluoro-5-methoxy-4-(2,2,2-trifluoroethoxy)benzene.
What is the SMILES notation for 1-bromo-2-fluoro-5-methoxy-4-(2,2,2-trifluoroethoxy)benzene?
The canonical SMILES for 1-bromo-2-fluoro-5-methoxy-4-(2,2,2-trifluoroethoxy)benzene is COc1cc(Br)c(F)cc1OCC(F)(F)F.
What is the InChIKey of 1-bromo-2-fluoro-5-methoxy-4-(2,2,2-trifluoroethoxy)benzene?
The InChIKey is ZXVOJMUZHLYBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF4O2/c1-15-7-2-5(10)6(11)3-8(7)16-4-9(12,13)14/h2-3H,4H2,1H3.
What are the key properties of 1-bromo-2-fluoro-5-methoxy-4-(2,2,2-trifluoroethoxy)benzene?
1-bromo-2-fluoro-5-methoxy-4-(2,2,2-trifluoroethoxy)benzene has a molecular weight of 303.05 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-fluoro-5-methoxy-4-(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 155923682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).