[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-2-yl]methanol

C11H16F3NO2 — CID 112548849

IUPAC[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-2-yl]methanol
SMILESCCCN(Cc1ccc(CO)o1)CC(F)(F)F
InChIInChI=1S/C11H16F3NO2/c1-2-5-15(8-11(12,13)14)6-9-3-4-10(7-16)17-9/h3-4,16H,2,5-8H2,1H3
InChIKeyKFPJFTSRDOAQJI-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.55
Rot. Bonds6

About [5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-2-yl]methanol

[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-2-yl]methanol (PubChem CID 112548849) has the molecular formula C11H16F3NO2 and a molecular weight of 251.25 g/mol. Its IUPAC name is [5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-2-yl]methanol
PubChem CID112548849
Molecular FormulaC11H16F3NO2
Molecular Weight251.25 g/mol
Exact Mass251.11
IUPAC Name[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-2-yl]methanol
SMILESCCCN(Cc1ccc(CO)o1)CC(F)(F)F
InChIInChI=1S/C11H16F3NO2/c1-2-5-15(8-11(12,13)14)6-9-3-4-10(7-16)17-9/h3-4,16H,2,5-8H2,1H3
InChIKeyKFPJFTSRDOAQJI-UHFFFAOYSA-N
XLogP2.55
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-2-yl]methanol (CID 112548849) is [5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-2-yl]methanol is CCCN(Cc1ccc(CO)o1)CC(F)(F)F.
What is the InChIKey of [5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-2-yl]methanol?
The InChIKey is KFPJFTSRDOAQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO2/c1-2-5-15(8-11(12,13)14)6-9-3-4-10(7-16)17-9/h3-4,16H,2,5-8H2,1H3.
What are the key properties of [5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-2-yl]methanol?
[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-2-yl]methanol has a molecular weight of 251.25 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 112548849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).