N-methyl-1-[5-(4,4,4-trifluorobutoxymethyl)furan-2-yl]methanamine

C11H16F3NO2 — CID 82791750

IUPACN-methyl-1-[5-(4,4,4-trifluorobutoxymethyl)furan-2-yl]methanamine
SMILESCNCc1ccc(COCCCC(F)(F)F)o1
InChIInChI=1S/C11H16F3NO2/c1-15-7-9-3-4-10(17-9)8-16-6-2-5-11(12,13)14/h3-4,15H,2,5-8H2,1H3
InChIKeyYFPFYBQDVCMQNF-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.86
Rot. Bonds7

About N-methyl-1-[5-(4,4,4-trifluorobutoxymethyl)furan-2-yl]methanamine

N-methyl-1-[5-(4,4,4-trifluorobutoxymethyl)furan-2-yl]methanamine (PubChem CID 82791750) has the molecular formula C11H16F3NO2 and a molecular weight of 251.25 g/mol. Its IUPAC name is N-methyl-1-[5-(4,4,4-trifluorobutoxymethyl)furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(4,4,4-trifluorobutoxymethyl)furan-2-yl]methanamine
PubChem CID82791750
Molecular FormulaC11H16F3NO2
Molecular Weight251.25 g/mol
Exact Mass251.11
IUPAC NameN-methyl-1-[5-(4,4,4-trifluorobutoxymethyl)furan-2-yl]methanamine
SMILESCNCc1ccc(COCCCC(F)(F)F)o1
InChIInChI=1S/C11H16F3NO2/c1-15-7-9-3-4-10(17-9)8-16-6-2-5-11(12,13)14/h3-4,15H,2,5-8H2,1H3
InChIKeyYFPFYBQDVCMQNF-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-methyl-1-[5-(4,4,4-trifluorobutoxymethyl)furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(4,4,4-trifluorobutoxymethyl)furan-2-yl]methanamine (CID 82791750) is N-methyl-1-[5-(4,4,4-trifluorobutoxymethyl)furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(4,4,4-trifluorobutoxymethyl)furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(4,4,4-trifluorobutoxymethyl)furan-2-yl]methanamine is CNCc1ccc(COCCCC(F)(F)F)o1.
What is the InChIKey of N-methyl-1-[5-(4,4,4-trifluorobutoxymethyl)furan-2-yl]methanamine?
The InChIKey is YFPFYBQDVCMQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO2/c1-15-7-9-3-4-10(17-9)8-16-6-2-5-11(12,13)14/h3-4,15H,2,5-8H2,1H3.
What are the key properties of N-methyl-1-[5-(4,4,4-trifluorobutoxymethyl)furan-2-yl]methanamine?
N-methyl-1-[5-(4,4,4-trifluorobutoxymethyl)furan-2-yl]methanamine 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-methyl-1-[5-(4,4,4-trifluorobutoxymethyl)furan-2-yl]methanamine is sourced from PubChem (CID 82791750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).