N-(2-ethoxyethyl)-2-fluoro-4-nitroaniline

C10H13FN2O3 — CID 43591241

IUPACN-(2-ethoxyethyl)-2-fluoro-4-nitroaniline
SMILESCCOCCNc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C10H13FN2O3/c1-2-16-6-5-12-10-4-3-8(13(14)15)7-9(10)11/h3-4,7,12H,2,5-6H2,1H3
InChIKeyNTFOOHZWBDHRBZ-UHFFFAOYSA-N
MW228.22 g/mol
LogP2.18
Rot. Bonds6

About N-(2-ethoxyethyl)-2-fluoro-4-nitroaniline

N-(2-ethoxyethyl)-2-fluoro-4-nitroaniline (PubChem CID 43591241) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2-fluoro-4-nitroaniline.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2-fluoro-4-nitroaniline
PubChem CID43591241
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC NameN-(2-ethoxyethyl)-2-fluoro-4-nitroaniline
SMILESCCOCCNc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C10H13FN2O3/c1-2-16-6-5-12-10-4-3-8(13(14)15)7-9(10)11/h3-4,7,12H,2,5-6H2,1H3
InChIKeyNTFOOHZWBDHRBZ-UHFFFAOYSA-N
XLogP2.18
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 52.18
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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Related Compounds

N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dinitroaniline
CID 162495808
N-ethyl-N'-(2-fluoro-4-nitrophenyl)propane-1,3-diamine
CID 54906818
2-[3-(2-fluoro-4-nitroanilino)propoxy]ethanol
CID 113362585
4-(2-fluoro-4-nitroanilino)-1-methoxybutan-2-ol
CID 113343383
4-(2-ethoxyethylamino)-3-fluorobenzenesulfonamide
CID 60965986
N-(2,2-dimethylpropyl)-2-fluoro-4-nitroaniline
CID 61167832
N-[2-(3,5-difluorophenyl)ethyl]-2-fluoro-4-nitroaniline
CID 62301494
N-but-2-ynyl-2-fluoro-4-nitroaniline
CID 115869270
N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-4-nitroaniline
CID 103704624
N-(2,3-dimethoxypropyl)-2-fluoro-4-nitroaniline
CID 113368856
methyl 5-(2-ethoxyethylamino)-2-fluoro-4-nitrobenzoate
CID 104699721
N-(2-ethoxyethyl)-3-methyl-5-nitroaniline
CID 112648993

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-2-fluoro-4-nitroaniline?
The IUPAC name of N-(2-ethoxyethyl)-2-fluoro-4-nitroaniline (CID 43591241) is N-(2-ethoxyethyl)-2-fluoro-4-nitroaniline.
What is the SMILES notation for N-(2-ethoxyethyl)-2-fluoro-4-nitroaniline?
The canonical SMILES for N-(2-ethoxyethyl)-2-fluoro-4-nitroaniline is CCOCCNc1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of N-(2-ethoxyethyl)-2-fluoro-4-nitroaniline?
The InChIKey is NTFOOHZWBDHRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3/c1-2-16-6-5-12-10-4-3-8(13(14)15)7-9(10)11/h3-4,7,12H,2,5-6H2,1H3.
What are the key properties of N-(2-ethoxyethyl)-2-fluoro-4-nitroaniline?
N-(2-ethoxyethyl)-2-fluoro-4-nitroaniline has a molecular weight of 228.22 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2-fluoro-4-nitroaniline is sourced from PubChem (CID 43591241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).