N-[2-(trifluoromethoxy)ethyl]aniline

C9H10F3NO — CID 10798265

IUPACN-[2-(trifluoromethoxy)ethyl]aniline
SMILESFC(F)(F)OCCNc1ccccc1
InChIInChI=1S/C9H10F3NO/c10-9(11,12)14-7-6-13-8-4-2-1-3-5-8/h1-5,13H,6-7H2
InChIKeyAJDMRDXCYIXSJC-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.63
Rot. Bonds4

About N-[2-(trifluoromethoxy)ethyl]aniline

N-[2-(trifluoromethoxy)ethyl]aniline (PubChem CID 10798265) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is N-[2-(trifluoromethoxy)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(trifluoromethoxy)ethyl]aniline
PubChem CID10798265
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC NameN-[2-(trifluoromethoxy)ethyl]aniline
SMILESFC(F)(F)OCCNc1ccccc1
InChIInChI=1S/C9H10F3NO/c10-9(11,12)14-7-6-13-8-4-2-1-3-5-8/h1-5,13H,6-7H2
InChIKeyAJDMRDXCYIXSJC-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethoxy)ethyl]aniline?
The IUPAC name of N-[2-(trifluoromethoxy)ethyl]aniline (CID 10798265) is N-[2-(trifluoromethoxy)ethyl]aniline.
What is the SMILES notation for N-[2-(trifluoromethoxy)ethyl]aniline?
The canonical SMILES for N-[2-(trifluoromethoxy)ethyl]aniline is FC(F)(F)OCCNc1ccccc1.
What is the InChIKey of N-[2-(trifluoromethoxy)ethyl]aniline?
The InChIKey is AJDMRDXCYIXSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-9(11,12)14-7-6-13-8-4-2-1-3-5-8/h1-5,13H,6-7H2.
What are the key properties of N-[2-(trifluoromethoxy)ethyl]aniline?
N-[2-(trifluoromethoxy)ethyl]aniline has a molecular weight of 205.18 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethoxy)ethyl]aniline is sourced from PubChem (CID 10798265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).