N-ethyl-2,6-difluoro-N-methyl-3-nitroaniline

C9H10F2N2O2 — CID 134441637

IUPACN-ethyl-2,6-difluoro-N-methyl-3-nitroaniline
SMILESCCN(C)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C9H10F2N2O2/c1-3-12(2)9-6(10)4-5-7(8(9)11)13(14)15/h4-5H,3H2,1-2H3
InChIKeyKHAWFRPZLDWSLH-UHFFFAOYSA-N
MW216.19 g/mol
LogP2.33
Rot. Bonds3

About N-ethyl-2,6-difluoro-N-methyl-3-nitroaniline

N-ethyl-2,6-difluoro-N-methyl-3-nitroaniline (PubChem CID 134441637) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is N-ethyl-2,6-difluoro-N-methyl-3-nitroaniline.

Molecular Properties

Compound NameN-ethyl-2,6-difluoro-N-methyl-3-nitroaniline
PubChem CID134441637
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC NameN-ethyl-2,6-difluoro-N-methyl-3-nitroaniline
SMILESCCN(C)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C9H10F2N2O2/c1-3-12(2)9-6(10)4-5-7(8(9)11)13(14)15/h4-5H,3H2,1-2H3
InChIKeyKHAWFRPZLDWSLH-UHFFFAOYSA-N
XLogP2.33
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 52.33
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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Related Compounds

N-(2,6-difluoro-3-nitrophenyl)-N-methylacetamide
CID 134413313
tert-butyl N-(2,6-difluoro-3-nitrophenyl)-N-ethylcarbamate
CID 134413306
2,3-difluoro-N-methyl-6-nitro-N-pentan-3-ylaniline
CID 114281571
N'-(2,3-difluoro-6-nitrophenyl)-N'-methylpropane-1,3-diamine
CID 113285828
N-ethyl-2,6-difluoro-3-nitro-N-propylbenzamide
CID 113252601
2,6-difluoro-N-methyl-3-nitro-N-propylbenzamide
CID 113252560
N-(2,3-difluoro-6-nitrophenyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 55098004
N-butyl-N-ethyl-2,6-difluoro-3-nitrobenzamide
CID 103740005
N-(2,3-difluoro-6-nitrophenyl)-N-ethylazetidin-3-amine
CID 66181559
N-(1-chloropropan-2-yl)-2,6-difluoro-N-methyl-3-nitrobenzamide
CID 113426443
tert-butyl N-(2,6-difluoro-3-nitrophenyl)-N-(2-fluoroethyl)carbamate
CID 134413311
3-fluoro-N,N,2-trimethyl-4-nitroaniline
CID 130865181

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,6-difluoro-N-methyl-3-nitroaniline?
The IUPAC name of N-ethyl-2,6-difluoro-N-methyl-3-nitroaniline (CID 134441637) is N-ethyl-2,6-difluoro-N-methyl-3-nitroaniline.
What is the SMILES notation for N-ethyl-2,6-difluoro-N-methyl-3-nitroaniline?
The canonical SMILES for N-ethyl-2,6-difluoro-N-methyl-3-nitroaniline is CCN(C)c1c(F)ccc([N+](=O)[O-])c1F.
What is the InChIKey of N-ethyl-2,6-difluoro-N-methyl-3-nitroaniline?
The InChIKey is KHAWFRPZLDWSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c1-3-12(2)9-6(10)4-5-7(8(9)11)13(14)15/h4-5H,3H2,1-2H3.
What are the key properties of N-ethyl-2,6-difluoro-N-methyl-3-nitroaniline?
N-ethyl-2,6-difluoro-N-methyl-3-nitroaniline has a molecular weight of 216.19 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,6-difluoro-N-methyl-3-nitroaniline is sourced from PubChem (CID 134441637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).