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

C7H8F3NO — CID 69098964

IUPACN-methyl-1-[2-(trifluoromethyl)furan-3-yl]methanamine
SMILESCNCc1ccoc1C(F)(F)F
InChIInChI=1S/C7H8F3NO/c1-11-4-5-2-3-12-6(5)7(8,9)10/h2-3,11H,4H2,1H3
InChIKeyKMHQFRVJXQGOQX-UHFFFAOYSA-N
MW179.14 g/mol
LogP2.02
Rot. Bonds2

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

N-methyl-1-[2-(trifluoromethyl)furan-3-yl]methanamine (PubChem CID 69098964) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is N-methyl-1-[2-(trifluoromethyl)furan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(trifluoromethyl)furan-3-yl]methanamine
PubChem CID69098964
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC NameN-methyl-1-[2-(trifluoromethyl)furan-3-yl]methanamine
SMILESCNCc1ccoc1C(F)(F)F
InChIInChI=1S/C7H8F3NO/c1-11-4-5-2-3-12-6(5)7(8,9)10/h2-3,11H,4H2,1H3
InChIKeyKMHQFRVJXQGOQX-UHFFFAOYSA-N
XLogP2.02
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-[2-(trifluoromethyl)furan-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(trifluoromethyl)furan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(trifluoromethyl)furan-3-yl]methanamine (CID 69098964) is N-methyl-1-[2-(trifluoromethyl)furan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(trifluoromethyl)furan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(trifluoromethyl)furan-3-yl]methanamine is CNCc1ccoc1C(F)(F)F.
What is the InChIKey of N-methyl-1-[2-(trifluoromethyl)furan-3-yl]methanamine?
The InChIKey is KMHQFRVJXQGOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c1-11-4-5-2-3-12-6(5)7(8,9)10/h2-3,11H,4H2,1H3.
What are the key properties of N-methyl-1-[2-(trifluoromethyl)furan-3-yl]methanamine?
N-methyl-1-[2-(trifluoromethyl)furan-3-yl]methanamine has a molecular weight of 179.14 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(trifluoromethyl)furan-3-yl]methanamine is sourced from PubChem (CID 69098964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).