N-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methanamine

C10H14F3NO2 — CID 66274886

IUPACN-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methanamine
SMILESCNCc1ccc(COC(C)C(F)(F)F)o1
InChIInChI=1S/C10H14F3NO2/c1-7(10(11,12)13)15-6-9-4-3-8(16-9)5-14-2/h3-4,7,14H,5-6H2,1-2H3
InChIKeyJIAVKAFZAJYJLM-UHFFFAOYSA-N
MW237.22 g/mol
LogP2.47
Rot. Bonds5

About N-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methanamine

N-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methanamine (PubChem CID 66274886) has the molecular formula C10H14F3NO2 and a molecular weight of 237.22 g/mol. Its IUPAC name is N-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methanamine
PubChem CID66274886
Molecular FormulaC10H14F3NO2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC NameN-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methanamine
SMILESCNCc1ccc(COC(C)C(F)(F)F)o1
InChIInChI=1S/C10H14F3NO2/c1-7(10(11,12)13)15-6-9-4-3-8(16-9)5-14-2/h3-4,7,14H,5-6H2,1-2H3
InChIKeyJIAVKAFZAJYJLM-UHFFFAOYSA-N
XLogP2.47
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methanamine (CID 66274886) is N-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methanamine is CNCc1ccc(COC(C)C(F)(F)F)o1.
What is the InChIKey of N-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methanamine?
The InChIKey is JIAVKAFZAJYJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO2/c1-7(10(11,12)13)15-6-9-4-3-8(16-9)5-14-2/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of N-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methanamine?
N-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methanamine has a molecular weight of 237.22 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methanamine is sourced from PubChem (CID 66274886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).