2,5-dichloro-4-(difluoromethoxy)aniline

C7H5Cl2F2NO — CID 119002752

IUPAC2,5-dichloro-4-(difluoromethoxy)aniline
SMILESNc1cc(Cl)c(OC(F)F)cc1Cl
InChIInChI=1S/C7H5Cl2F2NO/c8-3-2-6(13-7(10)11)4(9)1-5(3)12/h1-2,7H,12H2
InChIKeySLVLLTDZVJXRAD-UHFFFAOYSA-N
MW228.03 g/mol
LogP3.18
Rot. Bonds2

About 2,5-dichloro-4-(difluoromethoxy)aniline

2,5-dichloro-4-(difluoromethoxy)aniline (PubChem CID 119002752) has the molecular formula C7H5Cl2F2NO and a molecular weight of 228.03 g/mol. Its IUPAC name is 2,5-dichloro-4-(difluoromethoxy)aniline.

Molecular Properties

Compound Name2,5-dichloro-4-(difluoromethoxy)aniline
PubChem CID119002752
Molecular FormulaC7H5Cl2F2NO
Molecular Weight228.03 g/mol
Exact Mass226.97
IUPAC Name2,5-dichloro-4-(difluoromethoxy)aniline
SMILESNc1cc(Cl)c(OC(F)F)cc1Cl
InChIInChI=1S/C7H5Cl2F2NO/c8-3-2-6(13-7(10)11)4(9)1-5(3)12/h1-2,7H,12H2
InChIKeySLVLLTDZVJXRAD-UHFFFAOYSA-N
XLogP3.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.03
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(difluoromethoxy)aniline?
The IUPAC name of 2,5-dichloro-4-(difluoromethoxy)aniline (CID 119002752) is 2,5-dichloro-4-(difluoromethoxy)aniline.
What is the SMILES notation for 2,5-dichloro-4-(difluoromethoxy)aniline?
The canonical SMILES for 2,5-dichloro-4-(difluoromethoxy)aniline is Nc1cc(Cl)c(OC(F)F)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-(difluoromethoxy)aniline?
The InChIKey is SLVLLTDZVJXRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F2NO/c8-3-2-6(13-7(10)11)4(9)1-5(3)12/h1-2,7H,12H2.
What are the key properties of 2,5-dichloro-4-(difluoromethoxy)aniline?
2,5-dichloro-4-(difluoromethoxy)aniline has a molecular weight of 228.03 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(difluoromethoxy)aniline is sourced from PubChem (CID 119002752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).