2,2,2-trifluoro-N-[(2,4,5-trimethylfuran-3-yl)methyl]ethanamine

C10H14F3NO — CID 65153036

IUPAC2,2,2-trifluoro-N-[(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
SMILESCc1oc(C)c(CNCC(F)(F)F)c1C
InChIInChI=1S/C10H14F3NO/c1-6-7(2)15-8(3)9(6)4-14-5-10(11,12)13/h14H,4-5H2,1-3H3
InChIKeyMZAPCVMMBPIULO-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.86
Rot. Bonds3

About 2,2,2-trifluoro-N-[(2,4,5-trimethylfuran-3-yl)methyl]ethanamine

2,2,2-trifluoro-N-[(2,4,5-trimethylfuran-3-yl)methyl]ethanamine (PubChem CID 65153036) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2,4,5-trimethylfuran-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
PubChem CID65153036
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name2,2,2-trifluoro-N-[(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
SMILESCc1oc(C)c(CNCC(F)(F)F)c1C
InChIInChI=1S/C10H14F3NO/c1-6-7(2)15-8(3)9(6)4-14-5-10(11,12)13/h14H,4-5H2,1-3H3
InChIKeyMZAPCVMMBPIULO-UHFFFAOYSA-N
XLogP2.86
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2,4,5-trimethylfuran-3-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(2,4,5-trimethylfuran-3-yl)methyl]ethanamine (CID 65153036) is 2,2,2-trifluoro-N-[(2,4,5-trimethylfuran-3-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2,4,5-trimethylfuran-3-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(2,4,5-trimethylfuran-3-yl)methyl]ethanamine is Cc1oc(C)c(CNCC(F)(F)F)c1C.
What is the InChIKey of 2,2,2-trifluoro-N-[(2,4,5-trimethylfuran-3-yl)methyl]ethanamine?
The InChIKey is MZAPCVMMBPIULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-6-7(2)15-8(3)9(6)4-14-5-10(11,12)13/h14H,4-5H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-N-[(2,4,5-trimethylfuran-3-yl)methyl]ethanamine?
2,2,2-trifluoro-N-[(2,4,5-trimethylfuran-3-yl)methyl]ethanamine has a molecular weight of 221.22 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2,4,5-trimethylfuran-3-yl)methyl]ethanamine is sourced from PubChem (CID 65153036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).