2-[4-(trifluoromethyl)phenoxy]ethanamine

C9H10F3NO — CID 17174834

IUPAC2-[4-(trifluoromethyl)phenoxy]ethanamine
SMILESNCCOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO/c10-9(11,12)7-1-3-8(4-2-7)14-6-5-13/h1-4H,5-6,13H2
InChIKeyRSFHDMPNKOZPHH-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.04
Rot. Bonds3

About 2-[4-(trifluoromethyl)phenoxy]ethanamine

2-[4-(trifluoromethyl)phenoxy]ethanamine (PubChem CID 17174834) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenoxy]ethanamine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenoxy]ethanamine
PubChem CID17174834
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name2-[4-(trifluoromethyl)phenoxy]ethanamine
SMILESNCCOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO/c10-9(11,12)7-1-3-8(4-2-7)14-6-5-13/h1-4H,5-6,13H2
InChIKeyRSFHDMPNKOZPHH-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenoxy]ethanamine?
The IUPAC name of 2-[4-(trifluoromethyl)phenoxy]ethanamine (CID 17174834) is 2-[4-(trifluoromethyl)phenoxy]ethanamine.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenoxy]ethanamine?
The canonical SMILES for 2-[4-(trifluoromethyl)phenoxy]ethanamine is NCCOc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenoxy]ethanamine?
The InChIKey is RSFHDMPNKOZPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-9(11,12)7-1-3-8(4-2-7)14-6-5-13/h1-4H,5-6,13H2.
What are the key properties of 2-[4-(trifluoromethyl)phenoxy]ethanamine?
2-[4-(trifluoromethyl)phenoxy]ethanamine has a molecular weight of 205.18 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenoxy]ethanamine is sourced from PubChem (CID 17174834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).