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

C11H16F3NO2 — CID 55073204

IUPACN-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1occc1COCC(F)(F)F
InChIInChI=1S/C11H16F3NO2/c1-8(2)15-5-10-9(3-4-17-10)6-16-7-11(12,13)14/h3-4,8,15H,5-7H2,1-2H3
InChIKeyOMPXTLDPASGQIU-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.86
Rot. Bonds6

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

N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine (PubChem CID 55073204) has the molecular formula C11H16F3NO2 and a molecular weight of 251.25 g/mol. Its IUPAC name is N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine
PubChem CID55073204
Molecular FormulaC11H16F3NO2
Molecular Weight251.25 g/mol
Exact Mass251.11
IUPAC NameN-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1occc1COCC(F)(F)F
InChIInChI=1S/C11H16F3NO2/c1-8(2)15-5-10-9(3-4-17-10)6-16-7-11(12,13)14/h3-4,8,15H,5-7H2,1-2H3
InChIKeyOMPXTLDPASGQIU-UHFFFAOYSA-N
XLogP2.86
TPSA34.40 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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine (CID 55073204) is N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine is CC(C)NCc1occc1COCC(F)(F)F.
What is the InChIKey of N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is OMPXTLDPASGQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO2/c1-8(2)15-5-10-9(3-4-17-10)6-16-7-11(12,13)14/h3-4,8,15H,5-7H2,1-2H3.
What are the key properties of N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine?
N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 251.25 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 55073204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).