N-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-yl]methyl]ethanamine

C12H17F4NO2 — CID 55077656

IUPACN-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1cc(COCC(F)(F)C(F)F)c(C)o1
InChIInChI=1S/C12H17F4NO2/c1-3-17-5-10-4-9(8(2)19-10)6-18-7-12(15,16)11(13)14/h4,11,17H,3,5-7H2,1-2H3
InChIKeyRTOVTSKPJTXSEI-UHFFFAOYSA-N
MW283.26 g/mol
LogP3.11
Rot. Bonds8

About N-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-yl]methyl]ethanamine

N-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-yl]methyl]ethanamine (PubChem CID 55077656) has the molecular formula C12H17F4NO2 and a molecular weight of 283.26 g/mol. Its IUPAC name is N-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-yl]methyl]ethanamine
PubChem CID55077656
Molecular FormulaC12H17F4NO2
Molecular Weight283.26 g/mol
Exact Mass283.12
IUPAC NameN-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1cc(COCC(F)(F)C(F)F)c(C)o1
InChIInChI=1S/C12H17F4NO2/c1-3-17-5-10-4-9(8(2)19-10)6-18-7-12(15,16)11(13)14/h4,11,17H,3,5-7H2,1-2H3
InChIKeyRTOVTSKPJTXSEI-UHFFFAOYSA-N
XLogP3.11
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-yl]methyl]ethanamine (CID 55077656) is N-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-yl]methyl]ethanamine is CCNCc1cc(COCC(F)(F)C(F)F)c(C)o1.
What is the InChIKey of N-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-yl]methyl]ethanamine?
The InChIKey is RTOVTSKPJTXSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F4NO2/c1-3-17-5-10-4-9(8(2)19-10)6-18-7-12(15,16)11(13)14/h4,11,17H,3,5-7H2,1-2H3.
What are the key properties of N-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-yl]methyl]ethanamine?
N-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-yl]methyl]ethanamine has a molecular weight of 283.26 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 55077656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).