2,2,2-trifluoro-1-[4-fluoro-2-(furan-2-ylmethylamino)phenyl]ethanol

C13H11F4NO2 — CID 155439060

IUPAC2,2,2-trifluoro-1-[4-fluoro-2-(furan-2-ylmethylamino)phenyl]ethanol
SMILESOC(c1ccc(F)cc1NCc1ccco1)C(F)(F)F
InChIInChI=1S/C13H11F4NO2/c14-8-3-4-10(12(19)13(15,16)17)11(6-8)18-7-9-2-1-5-20-9/h1-6,12,18-19H,7H2
InChIKeyGMWMEPFMVTUUBE-UHFFFAOYSA-N
MW289.23 g/mol
LogP3.63
Rot. Bonds4

About 2,2,2-trifluoro-1-[4-fluoro-2-(furan-2-ylmethylamino)phenyl]ethanol

2,2,2-trifluoro-1-[4-fluoro-2-(furan-2-ylmethylamino)phenyl]ethanol (PubChem CID 155439060) has the molecular formula C13H11F4NO2 and a molecular weight of 289.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-fluoro-2-(furan-2-ylmethylamino)phenyl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-fluoro-2-(furan-2-ylmethylamino)phenyl]ethanol
PubChem CID155439060
Molecular FormulaC13H11F4NO2
Molecular Weight289.23 g/mol
Exact Mass289.07
IUPAC Name2,2,2-trifluoro-1-[4-fluoro-2-(furan-2-ylmethylamino)phenyl]ethanol
SMILESOC(c1ccc(F)cc1NCc1ccco1)C(F)(F)F
InChIInChI=1S/C13H11F4NO2/c14-8-3-4-10(12(19)13(15,16)17)11(6-8)18-7-9-2-1-5-20-9/h1-6,12,18-19H,7H2
InChIKeyGMWMEPFMVTUUBE-UHFFFAOYSA-N
XLogP3.63
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.23
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-fluoro-2-(furan-2-ylmethylamino)phenyl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[4-fluoro-2-(furan-2-ylmethylamino)phenyl]ethanol (CID 155439060) is 2,2,2-trifluoro-1-[4-fluoro-2-(furan-2-ylmethylamino)phenyl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-fluoro-2-(furan-2-ylmethylamino)phenyl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[4-fluoro-2-(furan-2-ylmethylamino)phenyl]ethanol is OC(c1ccc(F)cc1NCc1ccco1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[4-fluoro-2-(furan-2-ylmethylamino)phenyl]ethanol?
The InChIKey is GMWMEPFMVTUUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4NO2/c14-8-3-4-10(12(19)13(15,16)17)11(6-8)18-7-9-2-1-5-20-9/h1-6,12,18-19H,7H2.
What are the key properties of 2,2,2-trifluoro-1-[4-fluoro-2-(furan-2-ylmethylamino)phenyl]ethanol?
2,2,2-trifluoro-1-[4-fluoro-2-(furan-2-ylmethylamino)phenyl]ethanol has a molecular weight of 289.23 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-fluoro-2-(furan-2-ylmethylamino)phenyl]ethanol is sourced from PubChem (CID 155439060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).