N-[[5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-1-amine

C11H16F3NO2 — CID 55073253

IUPACN-[[5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(COCC(F)(F)F)c1
InChIInChI=1S/C11H16F3NO2/c1-2-3-15-5-9-4-10(17-6-9)7-16-8-11(12,13)14/h4,6,15H,2-3,5,7-8H2,1H3
InChIKeyPHDSPORZMAZECH-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.86
Rot. Bonds7

About N-[[5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-1-amine

N-[[5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-1-amine (PubChem CID 55073253) has the molecular formula C11H16F3NO2 and a molecular weight of 251.25 g/mol. Its IUPAC name is N-[[5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-1-amine
PubChem CID55073253
Molecular FormulaC11H16F3NO2
Molecular Weight251.25 g/mol
Exact Mass251.11
IUPAC NameN-[[5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(COCC(F)(F)F)c1
InChIInChI=1S/C11H16F3NO2/c1-2-3-15-5-9-4-10(17-6-9)7-16-8-11(12,13)14/h4,6,15H,2-3,5,7-8H2,1H3
InChIKeyPHDSPORZMAZECH-UHFFFAOYSA-N
XLogP2.86
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-1-amine (CID 55073253) is N-[[5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-1-amine is CCCNCc1coc(COCC(F)(F)F)c1.
What is the InChIKey of N-[[5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-1-amine?
The InChIKey is PHDSPORZMAZECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO2/c1-2-3-15-5-9-4-10(17-6-9)7-16-8-11(12,13)14/h4,6,15H,2-3,5,7-8H2,1H3.
What are the key properties of N-[[5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-1-amine?
N-[[5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-1-amine has a molecular weight of 251.25 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 55073253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).