2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]-4-nitroaniline

C10H10Cl2F2N2O3 — CID 103081487

IUPAC2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]-4-nitroaniline
SMILESO=[N+]([O-])c1cc(Cl)c(NCCOCC(F)F)c(Cl)c1
InChIInChI=1S/C10H10Cl2F2N2O3/c11-7-3-6(16(17)18)4-8(12)10(7)15-1-2-19-5-9(13)14/h3-4,9,15H,1-2,5H2
InChIKeyONLMOVMQJWHRKB-UHFFFAOYSA-N
MW315.10 g/mol
LogP3.60
Rot. Bonds7

About 2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]-4-nitroaniline

2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]-4-nitroaniline (PubChem CID 103081487) has the molecular formula C10H10Cl2F2N2O3 and a molecular weight of 315.10 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]-4-nitroaniline.

Molecular Properties

Compound Name2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]-4-nitroaniline
PubChem CID103081487
Molecular FormulaC10H10Cl2F2N2O3
Molecular Weight315.10 g/mol
Exact Mass314.00
IUPAC Name2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]-4-nitroaniline
SMILESO=[N+]([O-])c1cc(Cl)c(NCCOCC(F)F)c(Cl)c1
InChIInChI=1S/C10H10Cl2F2N2O3/c11-7-3-6(16(17)18)4-8(12)10(7)15-1-2-19-5-9(13)14/h3-4,9,15H,1-2,5H2
InChIKeyONLMOVMQJWHRKB-UHFFFAOYSA-N
XLogP3.60
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.10
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]-4-nitroaniline?
The IUPAC name of 2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]-4-nitroaniline (CID 103081487) is 2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]-4-nitroaniline.
What is the SMILES notation for 2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]-4-nitroaniline?
The canonical SMILES for 2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]-4-nitroaniline is O=[N+]([O-])c1cc(Cl)c(NCCOCC(F)F)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]-4-nitroaniline?
The InChIKey is ONLMOVMQJWHRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2F2N2O3/c11-7-3-6(16(17)18)4-8(12)10(7)15-1-2-19-5-9(13)14/h3-4,9,15H,1-2,5H2.
What are the key properties of 2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]-4-nitroaniline?
2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]-4-nitroaniline has a molecular weight of 315.10 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]-4-nitroaniline is sourced from PubChem (CID 103081487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).