4-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline

C10H12F3NO2 — CID 43365871

IUPAC4-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline
SMILESNc1ccc(OCCOCC(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO2/c11-10(12,13)7-15-5-6-16-9-3-1-8(14)2-4-9/h1-4H,5-7,14H2
InChIKeyLKUSUXSMGIDPTI-UHFFFAOYSA-N
MW235.20 g/mol
LogP2.23
Rot. Bonds5

About 4-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline

4-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline (PubChem CID 43365871) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is 4-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline.

Molecular Properties

Compound Name4-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline
PubChem CID43365871
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Name4-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline
SMILESNc1ccc(OCCOCC(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO2/c11-10(12,13)7-15-5-6-16-9-3-1-8(14)2-4-9/h1-4H,5-7,14H2
InChIKeyLKUSUXSMGIDPTI-UHFFFAOYSA-N
XLogP2.23
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387
1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-1-amine
CID 61492150
4-[(E)-2-[4-[2-[2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]aniline
CID 154936794
4-(2-ethoxyethoxy)aniline
CID 16641299
2,2,2-trifluoroethoxymethyl 2-(4-aminophenoxy)acetate
CID 106705737
2-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]acetic acid
CID 61492419
4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline
CID 145159211
4-[2-(3-methylbutoxy)ethoxy]aniline
CID 43366007
4-(2-pentoxyethoxy)aniline
CID 43274923
4-[(E)-2-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl](18F)aniline
CID 155928980
1-propan-2-yl-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzene
CID 64766053
4-(2,2,2-trifluoroethoxy)butoxybenzene
CID 23282430

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline?
The IUPAC name of 4-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline (CID 43365871) is 4-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline.
What is the SMILES notation for 4-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline?
The canonical SMILES for 4-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline is Nc1ccc(OCCOCC(F)(F)F)cc1.
What is the InChIKey of 4-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline?
The InChIKey is LKUSUXSMGIDPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2/c11-10(12,13)7-15-5-6-16-9-3-1-8(14)2-4-9/h1-4H,5-7,14H2.
What are the key properties of 4-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline?
4-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline has a molecular weight of 235.20 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline is sourced from PubChem (CID 43365871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).