1-bromo-5-(3,3-dichloroprop-2-enoxy)-2-methoxy-3-(trifluoromethyl)benzene

C11H8BrCl2F3O2 — CID 18725418

IUPAC1-bromo-5-(3,3-dichloroprop-2-enoxy)-2-methoxy-3-(trifluoromethyl)benzene
SMILESCOc1c(Br)cc(OCC=C(Cl)Cl)cc1C(F)(F)F
InChIInChI=1S/C11H8BrCl2F3O2/c1-18-10-7(11(15,16)17)4-6(5-8(10)12)19-3-2-9(13)14/h2,4-5H,3H2,1H3
InChIKeyYPWSUINFIXDXMZ-UHFFFAOYSA-N
MW379.99 g/mol
LogP5.17
Rot. Bonds4

About 1-bromo-5-(3,3-dichloroprop-2-enoxy)-2-methoxy-3-(trifluoromethyl)benzene

1-bromo-5-(3,3-dichloroprop-2-enoxy)-2-methoxy-3-(trifluoromethyl)benzene (PubChem CID 18725418) has the molecular formula C11H8BrCl2F3O2 and a molecular weight of 379.99 g/mol. Its IUPAC name is 1-bromo-5-(3,3-dichloroprop-2-enoxy)-2-methoxy-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-5-(3,3-dichloroprop-2-enoxy)-2-methoxy-3-(trifluoromethyl)benzene
PubChem CID18725418
Molecular FormulaC11H8BrCl2F3O2
Molecular Weight379.99 g/mol
Exact Mass377.90
IUPAC Name1-bromo-5-(3,3-dichloroprop-2-enoxy)-2-methoxy-3-(trifluoromethyl)benzene
SMILESCOc1c(Br)cc(OCC=C(Cl)Cl)cc1C(F)(F)F
InChIInChI=1S/C11H8BrCl2F3O2/c1-18-10-7(11(15,16)17)4-6(5-8(10)12)19-3-2-9(13)14/h2,4-5H,3H2,1H3
InChIKeyYPWSUINFIXDXMZ-UHFFFAOYSA-N
XLogP5.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.99
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-bromo-5-(3,3-dichloroprop-2-enoxy)-2-methoxy-3-(trifluoromethyl)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

1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxybenzene
CID 18725396
2-bromo-4-(3,3-dibromoprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline
CID 54246999
1-bromo-5-(3,3-dibromoprop-2-enoxy)-3-fluoro-2-methoxybenzene
CID 18725414
N-[3-[2-bromo-4-(3,3-dichloroprop-2-enoxy)-6-fluorophenoxy]propoxy]propan-2-imine
CID 22963509
N-[4-[2-bromo-4-(3,3-dichloroprop-2-enoxy)-6-fluorophenoxy]butoxy]propan-2-imine
CID 22963632
N-[3-[2-bromo-6-chloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]propan-2-imine
CID 22963515
2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3,5-bis(trifluoromethyl)pyridine
CID 21466246
3-chloro-2-[4-(3,3-dichloroprop-2-enoxy)-2,6-dimethylphenoxy]-5-(trifluoromethyl)pyridine
CID 21466401
1-(3,3-dichloroprop-2-enoxy)-4-(4-propan-2-yloxyphenoxy)-2-(trifluoromethyl)benzene
CID 21466330
N-[3-[4-[(Z)-3-bromo-3-chloroprop-2-enoxy]-2-chloro-6-(trifluoromethyl)phenoxy]propoxy]propan-2-imine
CID 59910218
2-[3-bromo-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-amine
CID 117496682
2-[3-chloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxyphenyl]-4,5-dihydro-1,3-oxazole
CID 141105448

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(3,3-dichloroprop-2-enoxy)-2-methoxy-3-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-5-(3,3-dichloroprop-2-enoxy)-2-methoxy-3-(trifluoromethyl)benzene (CID 18725418) is 1-bromo-5-(3,3-dichloroprop-2-enoxy)-2-methoxy-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-5-(3,3-dichloroprop-2-enoxy)-2-methoxy-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-5-(3,3-dichloroprop-2-enoxy)-2-methoxy-3-(trifluoromethyl)benzene is COc1c(Br)cc(OCC=C(Cl)Cl)cc1C(F)(F)F.
What is the InChIKey of 1-bromo-5-(3,3-dichloroprop-2-enoxy)-2-methoxy-3-(trifluoromethyl)benzene?
The InChIKey is YPWSUINFIXDXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2F3O2/c1-18-10-7(11(15,16)17)4-6(5-8(10)12)19-3-2-9(13)14/h2,4-5H,3H2,1H3.
What are the key properties of 1-bromo-5-(3,3-dichloroprop-2-enoxy)-2-methoxy-3-(trifluoromethyl)benzene?
1-bromo-5-(3,3-dichloroprop-2-enoxy)-2-methoxy-3-(trifluoromethyl)benzene has a molecular weight of 379.99 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(3,3-dichloroprop-2-enoxy)-2-methoxy-3-(trifluoromethyl)benzene is sourced from PubChem (CID 18725418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).