2-[2-amino-4,5-difluoro-N-(2,2,2-trifluoroethyl)anilino]ethanol

C10H11F5N2O — CID 112751860

IUPAC2-[2-amino-4,5-difluoro-N-(2,2,2-trifluoroethyl)anilino]ethanol
SMILESNc1cc(F)c(F)cc1N(CCO)CC(F)(F)F
InChIInChI=1S/C10H11F5N2O/c11-6-3-8(16)9(4-7(6)12)17(1-2-18)5-10(13,14)15/h3-4,18H,1-2,5,16H2
InChIKeyXJDPRAWMXKHESC-UHFFFAOYSA-N
MW270.20 g/mol
LogP1.91
Rot. Bonds4

About 2-[2-amino-4,5-difluoro-N-(2,2,2-trifluoroethyl)anilino]ethanol

2-[2-amino-4,5-difluoro-N-(2,2,2-trifluoroethyl)anilino]ethanol (PubChem CID 112751860) has the molecular formula C10H11F5N2O and a molecular weight of 270.20 g/mol. Its IUPAC name is 2-[2-amino-4,5-difluoro-N-(2,2,2-trifluoroethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[2-amino-4,5-difluoro-N-(2,2,2-trifluoroethyl)anilino]ethanol
PubChem CID112751860
Molecular FormulaC10H11F5N2O
Molecular Weight270.20 g/mol
Exact Mass270.08
IUPAC Name2-[2-amino-4,5-difluoro-N-(2,2,2-trifluoroethyl)anilino]ethanol
SMILESNc1cc(F)c(F)cc1N(CCO)CC(F)(F)F
InChIInChI=1S/C10H11F5N2O/c11-6-3-8(16)9(4-7(6)12)17(1-2-18)5-10(13,14)15/h3-4,18H,1-2,5,16H2
InChIKeyXJDPRAWMXKHESC-UHFFFAOYSA-N
XLogP1.91
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[2-amino-4,5-difluoro-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-bromo-5-fluoro-1-N-propyl-1-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 66109551
2-[(5-amino-1H-indazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107491314
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-[2-amino-4-chloro-5-fluoro-N-(2-hydroxyethyl)anilino]ethanol
CID 66079554
4-chloro-5-fluoro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 114088984
2-[2-amino-4-nitro-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478310
2-[2-(aminomethyl)-5-chloro-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478489
2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478278
2-[2-amino-5-ethoxy-4-fluoro-N-(2-hydroxyethyl)anilino]ethanol
CID 63593222
1-[5-fluoro-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-methylphenyl]ethanol
CID 107481059
2-(2-amino-N-benzyl-5-bromo-4-fluoroanilino)ethanol
CID 116735819

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4,5-difluoro-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The IUPAC name of 2-[2-amino-4,5-difluoro-N-(2,2,2-trifluoroethyl)anilino]ethanol (CID 112751860) is 2-[2-amino-4,5-difluoro-N-(2,2,2-trifluoroethyl)anilino]ethanol.
What is the SMILES notation for 2-[2-amino-4,5-difluoro-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The canonical SMILES for 2-[2-amino-4,5-difluoro-N-(2,2,2-trifluoroethyl)anilino]ethanol is Nc1cc(F)c(F)cc1N(CCO)CC(F)(F)F.
What is the InChIKey of 2-[2-amino-4,5-difluoro-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The InChIKey is XJDPRAWMXKHESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F5N2O/c11-6-3-8(16)9(4-7(6)12)17(1-2-18)5-10(13,14)15/h3-4,18H,1-2,5,16H2.
What are the key properties of 2-[2-amino-4,5-difluoro-N-(2,2,2-trifluoroethyl)anilino]ethanol?
2-[2-amino-4,5-difluoro-N-(2,2,2-trifluoroethyl)anilino]ethanol has a molecular weight of 270.20 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4,5-difluoro-N-(2,2,2-trifluoroethyl)anilino]ethanol is sourced from PubChem (CID 112751860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).