[5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine

C13H12F3NO2 — CID 55072962

IUPAC[5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine
SMILESNCc1coc(COc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C13H12F3NO2/c14-13(15,16)10-1-3-11(4-2-10)19-8-12-5-9(6-17)7-18-12/h1-5,7H,6,8,17H2
InChIKeyMHSSPEHQMDRSBM-UHFFFAOYSA-N
MW271.24 g/mol
LogP3.34
Rot. Bonds4

About [5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine

[5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine (PubChem CID 55072962) has the molecular formula C13H12F3NO2 and a molecular weight of 271.24 g/mol. Its IUPAC name is [5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine.

Molecular Properties

Compound Name[5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine
PubChem CID55072962
Molecular FormulaC13H12F3NO2
Molecular Weight271.24 g/mol
Exact Mass271.08
IUPAC Name[5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine
SMILESNCc1coc(COc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C13H12F3NO2/c14-13(15,16)10-1-3-11(4-2-10)19-8-12-5-9(6-17)7-18-12/h1-5,7H,6,8,17H2
InChIKeyMHSSPEHQMDRSBM-UHFFFAOYSA-N
XLogP3.34
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine?
The IUPAC name of [5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine (CID 55072962) is [5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine.
What is the SMILES notation for [5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine?
The canonical SMILES for [5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine is NCc1coc(COc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of [5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine?
The InChIKey is MHSSPEHQMDRSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO2/c14-13(15,16)10-1-3-11(4-2-10)19-8-12-5-9(6-17)7-18-12/h1-5,7H,6,8,17H2.
What are the key properties of [5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine?
[5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine has a molecular weight of 271.24 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine is sourced from PubChem (CID 55072962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).