N,N-diethyl-4-fluoro-2-nitroaniline

C10H13FN2O2 — CID 2914233

IUPACN,N-diethyl-4-fluoro-2-nitroaniline
SMILESCCN(CC)c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H13FN2O2/c1-3-12(4-2)9-6-5-8(11)7-10(9)13(14)15/h5-7H,3-4H2,1-2H3
InChIKeyAWZGFXLNXUERQT-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.58
Rot. Bonds4

About N,N-diethyl-4-fluoro-2-nitroaniline

N,N-diethyl-4-fluoro-2-nitroaniline (PubChem CID 2914233) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is N,N-diethyl-4-fluoro-2-nitroaniline.

Molecular Properties

Compound NameN,N-diethyl-4-fluoro-2-nitroaniline
PubChem CID2914233
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC NameN,N-diethyl-4-fluoro-2-nitroaniline
SMILESCCN(CC)c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H13FN2O2/c1-3-12(4-2)9-6-5-8(11)7-10(9)13(14)15/h5-7H,3-4H2,1-2H3
InChIKeyAWZGFXLNXUERQT-UHFFFAOYSA-N
XLogP2.58
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.58
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,N-diethyl-4-fluoro-2-nitroaniline?
The IUPAC name of N,N-diethyl-4-fluoro-2-nitroaniline (CID 2914233) is N,N-diethyl-4-fluoro-2-nitroaniline.
What is the SMILES notation for N,N-diethyl-4-fluoro-2-nitroaniline?
The canonical SMILES for N,N-diethyl-4-fluoro-2-nitroaniline is CCN(CC)c1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of N,N-diethyl-4-fluoro-2-nitroaniline?
The InChIKey is AWZGFXLNXUERQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-3-12(4-2)9-6-5-8(11)7-10(9)13(14)15/h5-7H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-fluoro-2-nitroaniline?
N,N-diethyl-4-fluoro-2-nitroaniline has a molecular weight of 212.22 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-fluoro-2-nitroaniline is sourced from PubChem (CID 2914233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).