2-[2-(difluoromethyl)-N-ethyl-4-nitroanilino]ethanol

C11H14F2N2O3 — CID 55230998

IUPAC2-[2-(difluoromethyl)-N-ethyl-4-nitroanilino]ethanol
SMILESCCN(CCO)c1ccc([N+](=O)[O-])cc1C(F)F
InChIInChI=1S/C11H14F2N2O3/c1-2-14(5-6-16)10-4-3-8(15(17)18)7-9(10)11(12)13/h3-4,7,11,16H,2,5-6H2,1H3
InChIKeyFZUXYEWRKRUOIV-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.35
Rot. Bonds6

About 2-[2-(difluoromethyl)-N-ethyl-4-nitroanilino]ethanol

2-[2-(difluoromethyl)-N-ethyl-4-nitroanilino]ethanol (PubChem CID 55230998) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-N-ethyl-4-nitroanilino]ethanol.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-N-ethyl-4-nitroanilino]ethanol
PubChem CID55230998
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC Name2-[2-(difluoromethyl)-N-ethyl-4-nitroanilino]ethanol
SMILESCCN(CCO)c1ccc([N+](=O)[O-])cc1C(F)F
InChIInChI=1S/C11H14F2N2O3/c1-2-14(5-6-16)10-4-3-8(15(17)18)7-9(10)11(12)13/h3-4,7,11,16H,2,5-6H2,1H3
InChIKeyFZUXYEWRKRUOIV-UHFFFAOYSA-N
XLogP2.35
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(2,4-dinitro-N-propylanilino)ethanol
CID 61425574
N,N-diethyl-2-fluoro-4-nitroaniline
CID 67995604
[2-[butyl(ethyl)amino]-5-nitrophenyl]methanol
CID 28963508
1-[4-[ethyl(2-hydroxyethyl)amino]-3-nitrophenyl]ethanol
CID 54879711
2-[N-(2-hydroxyethyl)-2-methoxy-5-nitroanilino]ethanol
CID 4640416
methyl 3-[2-(difluoromethyl)-N-methyl-4-nitroanilino]-2-methylpropanoate
CID 63735155
2-[4-[[4-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-2-nitroanilino]-(2-hydroxyethyl)amino]-N-ethyl-3-nitroanilino]ethanol
CID 57034784
N-ethyl-2-fluoro-4-nitro-N-(3,3,3-trifluoropropyl)aniline
CID 133279235
2-(N-butyl-2-methyl-5-nitroanilino)ethanol
CID 55091699
N'-(2-bromo-4-nitrophenyl)-N'-ethylethane-1,2-diamine
CID 114900661
2-(diethylamino)-N-hydroxy-5-nitrobenzamide
CID 91678196
2-(5-bromo-N-ethyl-2-nitroanilino)ethanol
CID 65343582

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-N-ethyl-4-nitroanilino]ethanol?
The IUPAC name of 2-[2-(difluoromethyl)-N-ethyl-4-nitroanilino]ethanol (CID 55230998) is 2-[2-(difluoromethyl)-N-ethyl-4-nitroanilino]ethanol.
What is the SMILES notation for 2-[2-(difluoromethyl)-N-ethyl-4-nitroanilino]ethanol?
The canonical SMILES for 2-[2-(difluoromethyl)-N-ethyl-4-nitroanilino]ethanol is CCN(CCO)c1ccc([N+](=O)[O-])cc1C(F)F.
What is the InChIKey of 2-[2-(difluoromethyl)-N-ethyl-4-nitroanilino]ethanol?
The InChIKey is FZUXYEWRKRUOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c1-2-14(5-6-16)10-4-3-8(15(17)18)7-9(10)11(12)13/h3-4,7,11,16H,2,5-6H2,1H3.
What are the key properties of 2-[2-(difluoromethyl)-N-ethyl-4-nitroanilino]ethanol?
2-[2-(difluoromethyl)-N-ethyl-4-nitroanilino]ethanol has a molecular weight of 260.24 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-N-ethyl-4-nitroanilino]ethanol is sourced from PubChem (CID 55230998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).