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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Related Compounds

1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)-N-methylethanamine
CID 83183465
(1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171209536
(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171209518
[[2-fluoro-5-(trifluoromethyl)phenyl]-(furan-3-yl)methyl]hydrazine
CID 105250289
(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]pentane-1,5-diamine
CID 171209520
2-(furan-3-yl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105030125
1-[2-fluoro-5-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 79016459
1-(2-fluoro-4-methoxyphenyl)-2-(furan-3-yl)ethanamine
CID 83182670
(1S)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171229157
(1R)-2-cyclopropyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine
CID 171209533
1-(4-bromo-2,6-difluorophenyl)-2-(furan-3-yl)ethanamine
CID 105030226
1-(3,4-difluorophenyl)-3-(furan-3-yl)propan-2-amine
CID 105030036

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).