N-(2-ethoxyethyl)-3,4,5-trifluoroaniline

C10H12F3NO — CID 62810804

IUPACN-(2-ethoxyethyl)-3,4,5-trifluoroaniline
SMILESCCOCCNc1cc(F)c(F)c(F)c1
InChIInChI=1S/C10H12F3NO/c1-2-15-4-3-14-7-5-8(11)10(13)9(12)6-7/h5-6,14H,2-4H2,1H3
InChIKeyXEPRMSXLIFVRCJ-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.55
Rot. Bonds5

About N-(2-ethoxyethyl)-3,4,5-trifluoroaniline

N-(2-ethoxyethyl)-3,4,5-trifluoroaniline (PubChem CID 62810804) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-3,4,5-trifluoroaniline.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-3,4,5-trifluoroaniline
PubChem CID62810804
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC NameN-(2-ethoxyethyl)-3,4,5-trifluoroaniline
SMILESCCOCCNc1cc(F)c(F)c(F)c1
InChIInChI=1S/C10H12F3NO/c1-2-15-4-3-14-7-5-8(11)10(13)9(12)6-7/h5-6,14H,2-4H2,1H3
InChIKeyXEPRMSXLIFVRCJ-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-(2-ethoxyethyl)-3,4,5-trifluoroaniline 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

3,4,5-trifluoro-N-(2-methoxyethyl)aniline
CID 62811343
N-(2-ethoxyethyl)-3,5-dimethoxyaniline
CID 43387851
3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)aniline
CID 62809594
N-(2-ethoxyethyl)-2,6-difluoro-3-methylaniline
CID 82818970
1-N-(2-ethoxyethyl)-2,6-difluorobenzene-1,4-diamine
CID 61016952
5-N-(2-ethoxyethyl)-3-N-methylpyridine-3,5-diamine
CID 104533068
N'-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 82504640
2-N-(2-ethoxyethyl)-3,4-difluorobenzene-1,2-diamine
CID 62532492
N-[2-(2-ethoxyethoxy)ethyl]aniline
CID 23009140
5-N-(2-ethoxyethyl)-3-N-propylpyridine-3,5-diamine
CID 104533066
2-bromo-6-chloro-N-(2-ethoxyethyl)pyridin-4-amine
CID 166385603
4-bromo-N-(3-ethoxypropyl)-3-fluoroaniline
CID 65437705

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-3,4,5-trifluoroaniline?
The IUPAC name of N-(2-ethoxyethyl)-3,4,5-trifluoroaniline (CID 62810804) is N-(2-ethoxyethyl)-3,4,5-trifluoroaniline.
What is the SMILES notation for N-(2-ethoxyethyl)-3,4,5-trifluoroaniline?
The canonical SMILES for N-(2-ethoxyethyl)-3,4,5-trifluoroaniline is CCOCCNc1cc(F)c(F)c(F)c1.
What is the InChIKey of N-(2-ethoxyethyl)-3,4,5-trifluoroaniline?
The InChIKey is XEPRMSXLIFVRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-2-15-4-3-14-7-5-8(11)10(13)9(12)6-7/h5-6,14H,2-4H2,1H3.
What are the key properties of N-(2-ethoxyethyl)-3,4,5-trifluoroaniline?
N-(2-ethoxyethyl)-3,4,5-trifluoroaniline has a molecular weight of 219.21 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-3,4,5-trifluoroaniline is sourced from PubChem (CID 62810804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).