3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline

C8H5Cl2F4NO — CID 5463763

IUPAC3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline
SMILESNc1cc(Cl)c(OC(F)(F)C(F)F)c(Cl)c1
InChIInChI=1S/C8H5Cl2F4NO/c9-4-1-3(15)2-5(10)6(4)16-8(13,14)7(11)12/h1-2,7H,15H2
InChIKeyJIPDPVQPKLVDIU-UHFFFAOYSA-N
MW278.03 g/mol
LogP3.81
Rot. Bonds3

About 3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline

3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline (PubChem CID 5463763) has the molecular formula C8H5Cl2F4NO and a molecular weight of 278.03 g/mol. Its IUPAC name is 3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline.

Molecular Properties

Compound Name3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline
PubChem CID5463763
Molecular FormulaC8H5Cl2F4NO
Molecular Weight278.03 g/mol
Exact Mass276.97
IUPAC Name3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline
SMILESNc1cc(Cl)c(OC(F)(F)C(F)F)c(Cl)c1
InChIInChI=1S/C8H5Cl2F4NO/c9-4-1-3(15)2-5(10)6(4)16-8(13,14)7(11)12/h1-2,7H,15H2
InChIKeyJIPDPVQPKLVDIU-UHFFFAOYSA-N
XLogP3.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.03
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline?
The IUPAC name of 3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline (CID 5463763) is 3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline.
What is the SMILES notation for 3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline?
The canonical SMILES for 3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline is Nc1cc(Cl)c(OC(F)(F)C(F)F)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline?
The InChIKey is JIPDPVQPKLVDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F4NO/c9-4-1-3(15)2-5(10)6(4)16-8(13,14)7(11)12/h1-2,7H,15H2.
What are the key properties of 3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline?
3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline has a molecular weight of 278.03 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline is sourced from PubChem (CID 5463763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).