4-[1-(2,2,2-trifluoroethoxy)ethyl]aniline

C10H12F3NO — CID 61263886

IUPAC4-[1-(2,2,2-trifluoroethoxy)ethyl]aniline
SMILESCC(OCC(F)(F)F)c1ccc(N)cc1
InChIInChI=1S/C10H12F3NO/c1-7(15-6-10(11,12)13)8-2-4-9(14)5-3-8/h2-5,7H,6,14H2,1H3
InChIKeyFNSUAXVVTDBYJA-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.91
Rot. Bonds3

About 4-[1-(2,2,2-trifluoroethoxy)ethyl]aniline

4-[1-(2,2,2-trifluoroethoxy)ethyl]aniline (PubChem CID 61263886) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 4-[1-(2,2,2-trifluoroethoxy)ethyl]aniline.

Molecular Properties

Compound Name4-[1-(2,2,2-trifluoroethoxy)ethyl]aniline
PubChem CID61263886
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name4-[1-(2,2,2-trifluoroethoxy)ethyl]aniline
SMILESCC(OCC(F)(F)F)c1ccc(N)cc1
InChIInChI=1S/C10H12F3NO/c1-7(15-6-10(11,12)13)8-2-4-9(14)5-3-8/h2-5,7H,6,14H2,1H3
InChIKeyFNSUAXVVTDBYJA-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,2,2-trifluoroethoxy)ethyl]aniline?
The IUPAC name of 4-[1-(2,2,2-trifluoroethoxy)ethyl]aniline (CID 61263886) is 4-[1-(2,2,2-trifluoroethoxy)ethyl]aniline.
What is the SMILES notation for 4-[1-(2,2,2-trifluoroethoxy)ethyl]aniline?
The canonical SMILES for 4-[1-(2,2,2-trifluoroethoxy)ethyl]aniline is CC(OCC(F)(F)F)c1ccc(N)cc1.
What is the InChIKey of 4-[1-(2,2,2-trifluoroethoxy)ethyl]aniline?
The InChIKey is FNSUAXVVTDBYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-7(15-6-10(11,12)13)8-2-4-9(14)5-3-8/h2-5,7H,6,14H2,1H3.
What are the key properties of 4-[1-(2,2,2-trifluoroethoxy)ethyl]aniline?
4-[1-(2,2,2-trifluoroethoxy)ethyl]aniline has a molecular weight of 219.21 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,2,2-trifluoroethoxy)ethyl]aniline is sourced from PubChem (CID 61263886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).