1-[(E)-2-bromoethenyl]-3-fluoro-2-(trifluoromethoxy)benzene

C9H5BrF4O — CID 178190874

IUPAC1-[(E)-2-bromoethenyl]-3-fluoro-2-(trifluoromethoxy)benzene
SMILESFc1cccc(/C=C/Br)c1OC(F)(F)F
InChIInChI=1S/C9H5BrF4O/c10-5-4-6-2-1-3-7(11)8(6)15-9(12,13)14/h1-5H/b5-4+
InChIKeyLQXBVBBFEFAHNF-SNAWJCMRSA-N
MW285.03 g/mol
LogP4.09
Rot. Bonds2

About 1-[(E)-2-bromoethenyl]-3-fluoro-2-(trifluoromethoxy)benzene

1-[(E)-2-bromoethenyl]-3-fluoro-2-(trifluoromethoxy)benzene (PubChem CID 178190874) has the molecular formula C9H5BrF4O and a molecular weight of 285.03 g/mol. Its IUPAC name is 1-[(E)-2-bromoethenyl]-3-fluoro-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-[(E)-2-bromoethenyl]-3-fluoro-2-(trifluoromethoxy)benzene
PubChem CID178190874
Molecular FormulaC9H5BrF4O
Molecular Weight285.03 g/mol
Exact Mass283.95
IUPAC Name1-[(E)-2-bromoethenyl]-3-fluoro-2-(trifluoromethoxy)benzene
SMILESFc1cccc(/C=C/Br)c1OC(F)(F)F
InChIInChI=1S/C9H5BrF4O/c10-5-4-6-2-1-3-7(11)8(6)15-9(12,13)14/h1-5H/b5-4+
InChIKeyLQXBVBBFEFAHNF-SNAWJCMRSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.03
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(E)-2-bromoethenyl]-3-fluoro-2-(trifluoromethoxy)benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-bromoethenyl]-3-fluoro-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-[(E)-2-bromoethenyl]-3-fluoro-2-(trifluoromethoxy)benzene (CID 178190874) is 1-[(E)-2-bromoethenyl]-3-fluoro-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-[(E)-2-bromoethenyl]-3-fluoro-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-[(E)-2-bromoethenyl]-3-fluoro-2-(trifluoromethoxy)benzene is Fc1cccc(/C=C/Br)c1OC(F)(F)F.
What is the InChIKey of 1-[(E)-2-bromoethenyl]-3-fluoro-2-(trifluoromethoxy)benzene?
The InChIKey is LQXBVBBFEFAHNF-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H5BrF4O/c10-5-4-6-2-1-3-7(11)8(6)15-9(12,13)14/h1-5H/b5-4+.
What are the key properties of 1-[(E)-2-bromoethenyl]-3-fluoro-2-(trifluoromethoxy)benzene?
1-[(E)-2-bromoethenyl]-3-fluoro-2-(trifluoromethoxy)benzene has a molecular weight of 285.03 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-bromoethenyl]-3-fluoro-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 178190874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).