2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine

C9H10F3NO — CID 19826569

IUPAC2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)C(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO/c1-14-7-4-2-6(3-5-7)8(13)9(10,11)12/h2-5,8H,13H2,1H3
InChIKeyWXWSEEIYIQOYNZ-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.26
Rot. Bonds2

About 2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine

2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine (PubChem CID 19826569) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
PubChem CID19826569
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)C(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO/c1-14-7-4-2-6(3-5-7)8(13)9(10,11)12/h2-5,8H,13H2,1H3
InChIKeyWXWSEEIYIQOYNZ-UHFFFAOYSA-N
XLogP2.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine (CID 19826569) is 2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine is COc1ccc(C(N)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine?
The InChIKey is WXWSEEIYIQOYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-14-7-4-2-6(3-5-7)8(13)9(10,11)12/h2-5,8H,13H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine?
2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine has a molecular weight of 205.18 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 19826569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).