N-ethyl-3-fluoro-N-(2-fluorophenyl)-5-nitroaniline

C14H12F2N2O2 — CID 80751737

IUPACN-ethyl-3-fluoro-N-(2-fluorophenyl)-5-nitroaniline
SMILESCCN(c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1F
InChIInChI=1S/C14H12F2N2O2/c1-2-17(14-6-4-3-5-13(14)16)11-7-10(15)8-12(9-11)18(19)20/h3-9H,2H2,1H3
InChIKeyGQNDOOJDRMAHPE-UHFFFAOYSA-N
MW278.26 g/mol
LogP4.03
Rot. Bonds4

About N-ethyl-3-fluoro-N-(2-fluorophenyl)-5-nitroaniline

N-ethyl-3-fluoro-N-(2-fluorophenyl)-5-nitroaniline (PubChem CID 80751737) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is N-ethyl-3-fluoro-N-(2-fluorophenyl)-5-nitroaniline.

Molecular Properties

Compound NameN-ethyl-3-fluoro-N-(2-fluorophenyl)-5-nitroaniline
PubChem CID80751737
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC NameN-ethyl-3-fluoro-N-(2-fluorophenyl)-5-nitroaniline
SMILESCCN(c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1F
InChIInChI=1S/C14H12F2N2O2/c1-2-17(14-6-4-3-5-13(14)16)11-7-10(15)8-12(9-11)18(19)20/h3-9H,2H2,1H3
InChIKeyGQNDOOJDRMAHPE-UHFFFAOYSA-N
XLogP4.03
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 N-ethyl-3-fluoro-N-(2-fluorophenyl)-5-nitroaniline?
The IUPAC name of N-ethyl-3-fluoro-N-(2-fluorophenyl)-5-nitroaniline (CID 80751737) is N-ethyl-3-fluoro-N-(2-fluorophenyl)-5-nitroaniline.
What is the SMILES notation for N-ethyl-3-fluoro-N-(2-fluorophenyl)-5-nitroaniline?
The canonical SMILES for N-ethyl-3-fluoro-N-(2-fluorophenyl)-5-nitroaniline is CCN(c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1F.
What is the InChIKey of N-ethyl-3-fluoro-N-(2-fluorophenyl)-5-nitroaniline?
The InChIKey is GQNDOOJDRMAHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c1-2-17(14-6-4-3-5-13(14)16)11-7-10(15)8-12(9-11)18(19)20/h3-9H,2H2,1H3.
What are the key properties of N-ethyl-3-fluoro-N-(2-fluorophenyl)-5-nitroaniline?
N-ethyl-3-fluoro-N-(2-fluorophenyl)-5-nitroaniline has a molecular weight of 278.26 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-N-(2-fluorophenyl)-5-nitroaniline is sourced from PubChem (CID 80751737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).