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

C12H18F3NO2 — CID 55073350

IUPAC2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1occc1COCC(F)(F)F
InChIInChI=1S/C12H18F3NO2/c1-11(2,3)16-6-10-9(4-5-18-10)7-17-8-12(13,14)15/h4-5,16H,6-8H2,1-3H3
InChIKeyQDXKOMYTPUBVDO-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.25
Rot. Bonds5

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

2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine (PubChem CID 55073350) has the molecular formula C12H18F3NO2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine
PubChem CID55073350
Molecular FormulaC12H18F3NO2
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC Name2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1occc1COCC(F)(F)F
InChIInChI=1S/C12H18F3NO2/c1-11(2,3)16-6-10-9(4-5-18-10)7-17-8-12(13,14)15/h4-5,16H,6-8H2,1-3H3
InChIKeyQDXKOMYTPUBVDO-UHFFFAOYSA-N
XLogP3.25
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine (CID 55073350) is 2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine is CC(C)(C)NCc1occc1COCC(F)(F)F.
What is the InChIKey of 2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is QDXKOMYTPUBVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO2/c1-11(2,3)16-6-10-9(4-5-18-10)7-17-8-12(13,14)15/h4-5,16H,6-8H2,1-3H3.
What are the key properties of 2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine?
2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 265.27 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 55073350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).