2-[2-amino-4-nitro-N-(2,2,2-trifluoroethyl)anilino]ethanol

C10H12F3N3O3 — CID 107478310

IUPAC2-[2-amino-4-nitro-N-(2,2,2-trifluoroethyl)anilino]ethanol
SMILESNc1cc([N+](=O)[O-])ccc1N(CCO)CC(F)(F)F
InChIInChI=1S/C10H12F3N3O3/c11-10(12,13)6-15(3-4-17)9-2-1-7(16(18)19)5-8(9)14/h1-2,5,17H,3-4,6,14H2
InChIKeyWBMTWAWOGYSWKE-UHFFFAOYSA-N
MW279.22 g/mol
LogP1.54
Rot. Bonds5

About 2-[2-amino-4-nitro-N-(2,2,2-trifluoroethyl)anilino]ethanol

2-[2-amino-4-nitro-N-(2,2,2-trifluoroethyl)anilino]ethanol (PubChem CID 107478310) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is 2-[2-amino-4-nitro-N-(2,2,2-trifluoroethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[2-amino-4-nitro-N-(2,2,2-trifluoroethyl)anilino]ethanol
PubChem CID107478310
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC Name2-[2-amino-4-nitro-N-(2,2,2-trifluoroethyl)anilino]ethanol
SMILESNc1cc([N+](=O)[O-])ccc1N(CCO)CC(F)(F)F
InChIInChI=1S/C10H12F3N3O3/c11-10(12,13)6-15(3-4-17)9-2-1-7(16(18)19)5-8(9)14/h1-2,5,17H,3-4,6,14H2
InChIKeyWBMTWAWOGYSWKE-UHFFFAOYSA-N
XLogP1.54
TPSA92.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-amino-4-nitro-N-(2,2,2-trifluoroethyl)anilino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide
CID 107478271
2-[2-amino-5-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478362
2-[3-methyl-5-nitro-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107484511
5-bromo-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzonitrile
CID 107479611
2-[N-cyclobutyl-4-nitro-2-(trifluoromethyl)anilino]ethanol
CID 102869037
2-[2-cyano-4-nitro-N-(2,2,2-trifluoroethyl)anilino]acetic acid
CID 79261997
2-(2-amino-4-nitro-N-propylanilino)-N,N-dimethylacetamide
CID 62506474
2-(2,4-dinitro-N-propylanilino)ethanol
CID 61425574
2-amino-N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide
CID 62147107
2-[2-(difluoromethyl)-N-ethyl-4-nitroanilino]ethanol
CID 55230998
2-(2-amino-N-ethyl-4-nitroanilino)-N-ethylacetamide
CID 62508624
4-nitro-2-(2,2,2-trifluoroethyl)aniline
CID 21397755

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-nitro-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The IUPAC name of 2-[2-amino-4-nitro-N-(2,2,2-trifluoroethyl)anilino]ethanol (CID 107478310) is 2-[2-amino-4-nitro-N-(2,2,2-trifluoroethyl)anilino]ethanol.
What is the SMILES notation for 2-[2-amino-4-nitro-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The canonical SMILES for 2-[2-amino-4-nitro-N-(2,2,2-trifluoroethyl)anilino]ethanol is Nc1cc([N+](=O)[O-])ccc1N(CCO)CC(F)(F)F.
What is the InChIKey of 2-[2-amino-4-nitro-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The InChIKey is WBMTWAWOGYSWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c11-10(12,13)6-15(3-4-17)9-2-1-7(16(18)19)5-8(9)14/h1-2,5,17H,3-4,6,14H2.
What are the key properties of 2-[2-amino-4-nitro-N-(2,2,2-trifluoroethyl)anilino]ethanol?
2-[2-amino-4-nitro-N-(2,2,2-trifluoroethyl)anilino]ethanol has a molecular weight of 279.22 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-nitro-N-(2,2,2-trifluoroethyl)anilino]ethanol is sourced from PubChem (CID 107478310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).