2-phenyl-1-(trifluoromethoxy)ethanamine

C9H10F3NO — CID 21071686

IUPAC2-phenyl-1-(trifluoromethoxy)ethanamine
SMILESNC(Cc1ccccc1)OC(F)(F)F
InChIInChI=1S/C9H10F3NO/c10-9(11,12)14-8(13)6-7-4-2-1-3-5-7/h1-5,8H,6,13H2
InChIKeyAUJXQSAEARXKSR-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.05
Rot. Bonds3

About 2-phenyl-1-(trifluoromethoxy)ethanamine

2-phenyl-1-(trifluoromethoxy)ethanamine (PubChem CID 21071686) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-phenyl-1-(trifluoromethoxy)ethanamine.

Molecular Properties

Compound Name2-phenyl-1-(trifluoromethoxy)ethanamine
PubChem CID21071686
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name2-phenyl-1-(trifluoromethoxy)ethanamine
SMILESNC(Cc1ccccc1)OC(F)(F)F
InChIInChI=1S/C9H10F3NO/c10-9(11,12)14-8(13)6-7-4-2-1-3-5-7/h1-5,8H,6,13H2
InChIKeyAUJXQSAEARXKSR-UHFFFAOYSA-N
XLogP2.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(trifluoromethoxy)ethanamine?
The IUPAC name of 2-phenyl-1-(trifluoromethoxy)ethanamine (CID 21071686) is 2-phenyl-1-(trifluoromethoxy)ethanamine.
What is the SMILES notation for 2-phenyl-1-(trifluoromethoxy)ethanamine?
The canonical SMILES for 2-phenyl-1-(trifluoromethoxy)ethanamine is NC(Cc1ccccc1)OC(F)(F)F.
What is the InChIKey of 2-phenyl-1-(trifluoromethoxy)ethanamine?
The InChIKey is AUJXQSAEARXKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-9(11,12)14-8(13)6-7-4-2-1-3-5-7/h1-5,8H,6,13H2.
What are the key properties of 2-phenyl-1-(trifluoromethoxy)ethanamine?
2-phenyl-1-(trifluoromethoxy)ethanamine has a molecular weight of 205.18 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(trifluoromethoxy)ethanamine is sourced from PubChem (CID 21071686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).