1-bromo-2-chloro-3-(difluoromethoxy)-4-(2-methylpentan-2-yl)benzene

C13H16BrClF2O — CID 139609334

IUPAC1-bromo-2-chloro-3-(difluoromethoxy)-4-(2-methylpentan-2-yl)benzene
SMILESCCCC(C)(C)c1ccc(Br)c(Cl)c1OC(F)F
InChIInChI=1S/C13H16BrClF2O/c1-4-7-13(2,3)8-5-6-9(14)10(15)11(8)18-12(16)17/h5-6,12H,4,7H2,1-3H3
InChIKeyWMULDBYZOUDCBD-UHFFFAOYSA-N
MW341.62 g/mol
LogP5.78
Rot. Bonds5

About 1-bromo-2-chloro-3-(difluoromethoxy)-4-(2-methylpentan-2-yl)benzene

1-bromo-2-chloro-3-(difluoromethoxy)-4-(2-methylpentan-2-yl)benzene (PubChem CID 139609334) has the molecular formula C13H16BrClF2O and a molecular weight of 341.62 g/mol. Its IUPAC name is 1-bromo-2-chloro-3-(difluoromethoxy)-4-(2-methylpentan-2-yl)benzene.

Molecular Properties

Compound Name1-bromo-2-chloro-3-(difluoromethoxy)-4-(2-methylpentan-2-yl)benzene
PubChem CID139609334
Molecular FormulaC13H16BrClF2O
Molecular Weight341.62 g/mol
Exact Mass340.00
IUPAC Name1-bromo-2-chloro-3-(difluoromethoxy)-4-(2-methylpentan-2-yl)benzene
SMILESCCCC(C)(C)c1ccc(Br)c(Cl)c1OC(F)F
InChIInChI=1S/C13H16BrClF2O/c1-4-7-13(2,3)8-5-6-9(14)10(15)11(8)18-12(16)17/h5-6,12H,4,7H2,1-3H3
InChIKeyWMULDBYZOUDCBD-UHFFFAOYSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.62
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-bromo-2-chloro-3-(difluoromethoxy)-4-(2-methylpentan-2-yl)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-bromo-2-chloro-3-(difluoromethoxy)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
CID 67825820
1-bromo-3-chloro-2-(difluoromethoxy)-4-methylbenzene
CID 164895658
ethyl 4-bromo-2-chloro-3-(difluoromethoxy)benzoate
CID 171006653
3-(4-bromo-3-chloro-2-fluorophenyl)-N-tert-butyl-3-methylbutan-1-amine
CID 106763830
1-bromo-2-chloro-4-(4-chloro-2-methylpentan-2-yl)-3-fluorobenzene
CID 106763531
1,4-dibromo-2-(difluoromethoxy)-3-methylbenzene
CID 131188890
3-bromo-5-chloro-2-(difluoromethoxy)-N-hexylaniline
CID 43691032
bis[2,6-bis(2-methylpentan-2-yl)phenoxy]-fluorophosphane
CID 54553105
1,3-dibromo-4-(chloromethyl)-2-(difluoromethoxy)benzene
CID 118990809
1,4-dibromo-2-(difluoromethoxy)-3-iodobenzene
CID 118813499
2,4-difluoro-1-(2-methylpentan-2-yl)benzene
CID 126704363
4-bromo-2-(difluoromethoxy)-3-fluorophenol
CID 118834241

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-3-(difluoromethoxy)-4-(2-methylpentan-2-yl)benzene?
The IUPAC name of 1-bromo-2-chloro-3-(difluoromethoxy)-4-(2-methylpentan-2-yl)benzene (CID 139609334) is 1-bromo-2-chloro-3-(difluoromethoxy)-4-(2-methylpentan-2-yl)benzene.
What is the SMILES notation for 1-bromo-2-chloro-3-(difluoromethoxy)-4-(2-methylpentan-2-yl)benzene?
The canonical SMILES for 1-bromo-2-chloro-3-(difluoromethoxy)-4-(2-methylpentan-2-yl)benzene is CCCC(C)(C)c1ccc(Br)c(Cl)c1OC(F)F.
What is the InChIKey of 1-bromo-2-chloro-3-(difluoromethoxy)-4-(2-methylpentan-2-yl)benzene?
The InChIKey is WMULDBYZOUDCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClF2O/c1-4-7-13(2,3)8-5-6-9(14)10(15)11(8)18-12(16)17/h5-6,12H,4,7H2,1-3H3.
What are the key properties of 1-bromo-2-chloro-3-(difluoromethoxy)-4-(2-methylpentan-2-yl)benzene?
1-bromo-2-chloro-3-(difluoromethoxy)-4-(2-methylpentan-2-yl)benzene has a molecular weight of 341.62 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-3-(difluoromethoxy)-4-(2-methylpentan-2-yl)benzene is sourced from PubChem (CID 139609334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).