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

C14H13F4NO — CID 83183465

IUPAC1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccoc1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C14H13F4NO/c1-19-13(6-9-4-5-20-8-9)11-7-10(14(16,17)18)2-3-12(11)15/h2-5,7-8,13,19H,6H2,1H3
InChIKeyPBPAHBAORZIKBI-UHFFFAOYSA-N
MW287.26 g/mol
LogP3.94
Rot. Bonds4

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

1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)-N-methylethanamine (PubChem CID 83183465) has the molecular formula C14H13F4NO and a molecular weight of 287.26 g/mol. Its IUPAC name is 1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)-N-methylethanamine
PubChem CID83183465
Molecular FormulaC14H13F4NO
Molecular Weight287.26 g/mol
Exact Mass287.09
IUPAC Name1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccoc1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C14H13F4NO/c1-19-13(6-9-4-5-20-8-9)11-7-10(14(16,17)18)2-3-12(11)15/h2-5,7-8,13,19H,6H2,1H3
InChIKeyPBPAHBAORZIKBI-UHFFFAOYSA-N
XLogP3.94
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine
CID 83183260
1-(2,6-difluorophenyl)-2-(furan-3-yl)-N-methylethanamine
CID 83183458
1-(4-fluorophenyl)-2-(furan-3-yl)-N-methylethanamine
CID 83176188
[[2-fluoro-5-(trifluoromethyl)phenyl]-(furan-3-yl)methyl]hydrazine
CID 105250289
1-(2,5-dibromothiophen-3-yl)-2-(furan-3-yl)-N-methylethanamine
CID 107968943
N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine
CID 83178416
N-ethyl-1-(2-fluorophenyl)-2-(furan-3-yl)ethanamine
CID 83175625
N-ethyl-2-(furan-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105177738
1-[2-fluoro-5-(trifluoromethyl)phenyl]butylhydrazine
CID 105250213
N-ethyl-1-(furan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 83178380
1-(1,3-dimethylpyrazol-4-yl)-2-(furan-3-yl)-N-methylethanamine
CID 102804370
1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 63529120

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)-N-methylethanamine?
The IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)-N-methylethanamine (CID 83183465) is 1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)-N-methylethanamine?
The canonical SMILES for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)-N-methylethanamine is CNC(Cc1ccoc1)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)-N-methylethanamine?
The InChIKey is PBPAHBAORZIKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4NO/c1-19-13(6-9-4-5-20-8-9)11-7-10(14(16,17)18)2-3-12(11)15/h2-5,7-8,13,19H,6H2,1H3.
What are the key properties of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)-N-methylethanamine?
1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)-N-methylethanamine has a molecular weight of 287.26 g/mol, XLogP of 3.94, 4 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)-N-methylethanamine is sourced from PubChem (CID 83183465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).