1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine

C13H11F4NO — CID 83183260

IUPAC1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine
SMILESNC(Cc1ccoc1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H11F4NO/c14-11-2-1-9(13(15,16)17)6-10(11)12(18)5-8-3-4-19-7-8/h1-4,6-7,12H,5,18H2
InChIKeyGGSMIMNOMIHHIX-UHFFFAOYSA-N
MW273.23 g/mol
LogP3.68
Rot. Bonds3

About 1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine

1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine (PubChem CID 83183260) has the molecular formula C13H11F4NO and a molecular weight of 273.23 g/mol. Its IUPAC name is 1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine.

Molecular Properties

Compound Name1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine
PubChem CID83183260
Molecular FormulaC13H11F4NO
Molecular Weight273.23 g/mol
Exact Mass273.08
IUPAC Name1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine
SMILESNC(Cc1ccoc1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H11F4NO/c14-11-2-1-9(13(15,16)17)6-10(11)12(18)5-8-3-4-19-7-8/h1-4,6-7,12H,5,18H2
InChIKeyGGSMIMNOMIHHIX-UHFFFAOYSA-N
XLogP3.68
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine?
The IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine (CID 83183260) is 1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine.
What is the SMILES notation for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine?
The canonical SMILES for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine is NC(Cc1ccoc1)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine?
The InChIKey is GGSMIMNOMIHHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4NO/c14-11-2-1-9(13(15,16)17)6-10(11)12(18)5-8-3-4-19-7-8/h1-4,6-7,12H,5,18H2.
What are the key properties of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine?
1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine has a molecular weight of 273.23 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine is sourced from PubChem (CID 83183260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).