2-[2-(2,4,5-trifluoroanilino)ethoxy]ethanol

C10H12F3NO2 — CID 62815209

IUPAC2-[2-(2,4,5-trifluoroanilino)ethoxy]ethanol
SMILESOCCOCCNc1cc(F)c(F)cc1F
InChIInChI=1S/C10H12F3NO2/c11-7-5-9(13)10(6-8(7)12)14-1-3-16-4-2-15/h5-6,14-15H,1-4H2
InChIKeySXXZOJKQKIRSNF-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.52
Rot. Bonds6

About 2-[2-(2,4,5-trifluoroanilino)ethoxy]ethanol

2-[2-(2,4,5-trifluoroanilino)ethoxy]ethanol (PubChem CID 62815209) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2-[2-(2,4,5-trifluoroanilino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2,4,5-trifluoroanilino)ethoxy]ethanol
PubChem CID62815209
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Name2-[2-(2,4,5-trifluoroanilino)ethoxy]ethanol
SMILESOCCOCCNc1cc(F)c(F)cc1F
InChIInChI=1S/C10H12F3NO2/c11-7-5-9(13)10(6-8(7)12)14-1-3-16-4-2-15/h5-6,14-15H,1-4H2
InChIKeySXXZOJKQKIRSNF-UHFFFAOYSA-N
XLogP1.52
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-[2-(2,4,5-trifluoroanilino)ethoxy]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

2-[2-(2,3,5-trifluoroanilino)ethoxy]ethanol
CID 62810263
2-[2-(2-amino-5-fluoro-4-iodoanilino)ethoxy]ethanol
CID 66100509
5-bromo-2,4-difluoro-N-(2-propoxyethyl)aniline
CID 106452646
2-fluoro-6-[2-(2-hydroxyethoxy)ethylamino]benzoic acid
CID 79523169
4-bromo-2,5-difluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 103843080
2-[2-(2-amino-5-chloroanilino)ethoxy]ethanol
CID 115468899
2-[2-(2-bromo-4,6-difluoroanilino)ethoxy]ethanol
CID 61070702
2-[3-[(2,4,5-trifluorophenyl)methylamino]propoxy]ethanol
CID 103992547
2-[2-[2-[4-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]phenyl]anilino]ethoxy]ethoxy]ethanol
CID 10433809
2-(2,5-difluoro-4-methoxyanilino)ethanol
CID 82648067
2-[2-[4-amino-2-(trifluoromethyl)anilino]ethoxy]ethanol
CID 14793683
2-[3-(2-fluoro-4-nitroanilino)propoxy]ethanol
CID 113362585

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4,5-trifluoroanilino)ethoxy]ethanol?
The IUPAC name of 2-[2-(2,4,5-trifluoroanilino)ethoxy]ethanol (CID 62815209) is 2-[2-(2,4,5-trifluoroanilino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2,4,5-trifluoroanilino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2,4,5-trifluoroanilino)ethoxy]ethanol is OCCOCCNc1cc(F)c(F)cc1F.
What is the InChIKey of 2-[2-(2,4,5-trifluoroanilino)ethoxy]ethanol?
The InChIKey is SXXZOJKQKIRSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2/c11-7-5-9(13)10(6-8(7)12)14-1-3-16-4-2-15/h5-6,14-15H,1-4H2.
What are the key properties of 2-[2-(2,4,5-trifluoroanilino)ethoxy]ethanol?
2-[2-(2,4,5-trifluoroanilino)ethoxy]ethanol has a molecular weight of 235.20 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4,5-trifluoroanilino)ethoxy]ethanol is sourced from PubChem (CID 62815209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).