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

C10H13FN2O2 — CID 67995604

IUPACN,N-diethyl-2-fluoro-4-nitroaniline
SMILESCCN(CC)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C10H13FN2O2/c1-3-12(4-2)10-6-5-8(13(14)15)7-9(10)11/h5-7H,3-4H2,1-2H3
InChIKeyFPVHBAPCTSCZKR-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.58
Rot. Bonds4

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

N,N-diethyl-2-fluoro-4-nitroaniline (PubChem CID 67995604) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is N,N-diethyl-2-fluoro-4-nitroaniline.

Molecular Properties

Compound NameN,N-diethyl-2-fluoro-4-nitroaniline
PubChem CID67995604
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC NameN,N-diethyl-2-fluoro-4-nitroaniline
SMILESCCN(CC)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C10H13FN2O2/c1-3-12(4-2)10-6-5-8(13(14)15)7-9(10)11/h5-7H,3-4H2,1-2H3
InChIKeyFPVHBAPCTSCZKR-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': 'anil_di_alk_A(478)', '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-ethyl-2-fluoro-4-nitro-N-(3,3,3-trifluoropropyl)aniline
CID 133279235
2-(chloromethyl)-N,N-diethyl-4-nitroaniline
CID 28964274
N-ethyl-2-fluoro-4-nitro-N-(piperidin-3-ylmethyl)aniline
CID 106643566
4-N-ethyl-4-N-(2-fluoro-4-nitrophenyl)cyclohexane-1,4-diamine
CID 79111478
(NZ)-N-[[2-(diethylamino)-5-nitrophenyl]methylidene]hydroxylamine
CID 126012263
3-(2-fluoro-N-methyl-4-nitroanilino)butanenitrile
CID 63228350
N'-(2-bromo-4-nitrophenyl)-N'-ethylethane-1,2-diamine
CID 114900661
2-(diethylamino)-N-hydroxy-5-nitrobenzamide
CID 91678196
N-[[(2S)-1,4-dibenzylpiperazin-2-yl]methyl]-N-ethyl-2-fluoro-4-nitroaniline
CID 67274301
(2R)-2-[2-fluoro-4-nitro-N-(2,2,2-trifluoroethyl)anilino]propan-1-ol
CID 16658947
3-(2-fluoro-N-methyl-4-nitroanilino)-2-methylpropanenitrile
CID 54949151
2-[2-(difluoromethyl)-N-ethyl-4-nitroanilino]ethanol
CID 55230998

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-fluoro-4-nitroaniline?
The IUPAC name of N,N-diethyl-2-fluoro-4-nitroaniline (CID 67995604) is N,N-diethyl-2-fluoro-4-nitroaniline.
What is the SMILES notation for N,N-diethyl-2-fluoro-4-nitroaniline?
The canonical SMILES for N,N-diethyl-2-fluoro-4-nitroaniline is CCN(CC)c1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of N,N-diethyl-2-fluoro-4-nitroaniline?
The InChIKey is FPVHBAPCTSCZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-3-12(4-2)10-6-5-8(13(14)15)7-9(10)11/h5-7H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2-fluoro-4-nitroaniline?
N,N-diethyl-2-fluoro-4-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-2-fluoro-4-nitroaniline is sourced from PubChem (CID 67995604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).