3,5-dichloro-2-(2,2-difluoroethoxy)aniline

C8H7Cl2F2NO — CID 19622891

IUPAC3,5-dichloro-2-(2,2-difluoroethoxy)aniline
SMILESNc1cc(Cl)cc(Cl)c1OCC(F)F
InChIInChI=1S/C8H7Cl2F2NO/c9-4-1-5(10)8(6(13)2-4)14-3-7(11)12/h1-2,7H,3,13H2
InChIKeyRKRGQHSUCDFUDE-UHFFFAOYSA-N
MW242.05 g/mol
LogP3.22
Rot. Bonds3

About 3,5-dichloro-2-(2,2-difluoroethoxy)aniline

3,5-dichloro-2-(2,2-difluoroethoxy)aniline (PubChem CID 19622891) has the molecular formula C8H7Cl2F2NO and a molecular weight of 242.05 g/mol. Its IUPAC name is 3,5-dichloro-2-(2,2-difluoroethoxy)aniline.

Molecular Properties

Compound Name3,5-dichloro-2-(2,2-difluoroethoxy)aniline
PubChem CID19622891
Molecular FormulaC8H7Cl2F2NO
Molecular Weight242.05 g/mol
Exact Mass240.99
IUPAC Name3,5-dichloro-2-(2,2-difluoroethoxy)aniline
SMILESNc1cc(Cl)cc(Cl)c1OCC(F)F
InChIInChI=1S/C8H7Cl2F2NO/c9-4-1-5(10)8(6(13)2-4)14-3-7(11)12/h1-2,7H,3,13H2
InChIKeyRKRGQHSUCDFUDE-UHFFFAOYSA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.05
LogP ≤ 53.22
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 3,5-dichloro-2-(2,2-difluoroethoxy)aniline?
The IUPAC name of 3,5-dichloro-2-(2,2-difluoroethoxy)aniline (CID 19622891) is 3,5-dichloro-2-(2,2-difluoroethoxy)aniline.
What is the SMILES notation for 3,5-dichloro-2-(2,2-difluoroethoxy)aniline?
The canonical SMILES for 3,5-dichloro-2-(2,2-difluoroethoxy)aniline is Nc1cc(Cl)cc(Cl)c1OCC(F)F.
What is the InChIKey of 3,5-dichloro-2-(2,2-difluoroethoxy)aniline?
The InChIKey is RKRGQHSUCDFUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2F2NO/c9-4-1-5(10)8(6(13)2-4)14-3-7(11)12/h1-2,7H,3,13H2.
What are the key properties of 3,5-dichloro-2-(2,2-difluoroethoxy)aniline?
3,5-dichloro-2-(2,2-difluoroethoxy)aniline has a molecular weight of 242.05 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-(2,2-difluoroethoxy)aniline is sourced from PubChem (CID 19622891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).