(1S)-2,2,2-trifluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)ethanamine

C13H12F3NO2 — CID 146167655

IUPAC(1S)-2,2,2-trifluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@](N)(c2ccco2)C(F)(F)F)cc1
InChIInChI=1S/C13H12F3NO2/c1-18-10-6-4-9(5-7-10)12(17,13(14,15)16)11-3-2-8-19-11/h2-8H,17H2,1H3/t12-/m0/s1
InChIKeyWYXMUWBEJPBMDM-LBPRGKRZSA-N
MW271.24 g/mol
LogP3.05
Rot. Bonds3

About (1S)-2,2,2-trifluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)ethanamine

(1S)-2,2,2-trifluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)ethanamine (PubChem CID 146167655) has the molecular formula C13H12F3NO2 and a molecular weight of 271.24 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)ethanamine
PubChem CID146167655
Molecular FormulaC13H12F3NO2
Molecular Weight271.24 g/mol
Exact Mass271.08
IUPAC Name(1S)-2,2,2-trifluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@](N)(c2ccco2)C(F)(F)F)cc1
InChIInChI=1S/C13H12F3NO2/c1-18-10-6-4-9(5-7-10)12(17,13(14,15)16)11-3-2-8-19-11/h2-8H,17H2,1H3/t12-/m0/s1
InChIKeyWYXMUWBEJPBMDM-LBPRGKRZSA-N
XLogP3.05
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of (1S)-2,2,2-trifluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)ethanamine (CID 146167655) is (1S)-2,2,2-trifluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)ethanamine is COc1ccc([C@](N)(c2ccco2)C(F)(F)F)cc1.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)ethanamine?
The InChIKey is WYXMUWBEJPBMDM-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H12F3NO2/c1-18-10-6-4-9(5-7-10)12(17,13(14,15)16)11-3-2-8-19-11/h2-8H,17H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)ethanamine?
(1S)-2,2,2-trifluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)ethanamine has a molecular weight of 271.24 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-(furan-2-yl)-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 146167655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).