N-methyl-1-[5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine

C8H10F3NO — CID 83595177

IUPACN-methyl-1-[5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine
SMILESCNCc1cc(C)oc1C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-5-3-6(4-12-2)7(13-5)8(9,10)11/h3,12H,4H2,1-2H3
InChIKeyQPOXMADWFDLFEZ-UHFFFAOYSA-N
MW193.17 g/mol
LogP2.33
Rot. Bonds2

About N-methyl-1-[5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine

N-methyl-1-[5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine (PubChem CID 83595177) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine
PubChem CID83595177
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC NameN-methyl-1-[5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine
SMILESCNCc1cc(C)oc1C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-5-3-6(4-12-2)7(13-5)8(9,10)11/h3,12H,4H2,1-2H3
InChIKeyQPOXMADWFDLFEZ-UHFFFAOYSA-N
XLogP2.33
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine (CID 83595177) is N-methyl-1-[5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine is CNCc1cc(C)oc1C(F)(F)F.
What is the InChIKey of N-methyl-1-[5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine?
The InChIKey is QPOXMADWFDLFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-5-3-6(4-12-2)7(13-5)8(9,10)11/h3,12H,4H2,1-2H3.
What are the key properties of N-methyl-1-[5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine?
N-methyl-1-[5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine has a molecular weight of 193.17 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine is sourced from PubChem (CID 83595177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).