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

C7H8F3NO2 — CID 82657153

IUPACN-methoxy-1-[5-(trifluoromethyl)furan-3-yl]methanamine
SMILESCONCc1coc(C(F)(F)F)c1
InChIInChI=1S/C7H8F3NO2/c1-12-11-3-5-2-6(13-4-5)7(8,9)10/h2,4,11H,3H2,1H3
InChIKeyDITAIWVNGBWJPE-UHFFFAOYSA-N
MW195.14 g/mol
LogP1.95
Rot. Bonds3

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

N-methoxy-1-[5-(trifluoromethyl)furan-3-yl]methanamine (PubChem CID 82657153) has the molecular formula C7H8F3NO2 and a molecular weight of 195.14 g/mol. Its IUPAC name is N-methoxy-1-[5-(trifluoromethyl)furan-3-yl]methanamine.

Molecular Properties

Compound NameN-methoxy-1-[5-(trifluoromethyl)furan-3-yl]methanamine
PubChem CID82657153
Molecular FormulaC7H8F3NO2
Molecular Weight195.14 g/mol
Exact Mass195.05
IUPAC NameN-methoxy-1-[5-(trifluoromethyl)furan-3-yl]methanamine
SMILESCONCc1coc(C(F)(F)F)c1
InChIInChI=1S/C7H8F3NO2/c1-12-11-3-5-2-6(13-4-5)7(8,9)10/h2,4,11H,3H2,1H3
InChIKeyDITAIWVNGBWJPE-UHFFFAOYSA-N
XLogP1.95
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methoxy-1-[5-(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

Related Compounds

N-methoxy-1-[2-(trifluoromethyl)-1-benzofuran-5-yl]methanamine
CID 117364183
N-methoxy-1-[4-(trifluoromethyl)phenyl]methanamine
CID 23499567
1-(3,5-dimethylphenyl)-N-methoxymethanamine
CID 60702400
N-methoxy-1-(3,4,5-trifluorophenyl)methanamine
CID 82706221
1-(3-ethyl-5-fluorophenyl)-N-methoxymethanamine
CID 117279572
1-[3,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-N-methoxymethanamine
CID 135352333
2,6-difluoro-4-[(methoxyamino)methyl]phenol
CID 82707251
1-[2-fluoro-3-(trifluoromethyl)phenyl]-N-methoxymethanamine
CID 117319008
4-chloro-2-(trifluoromethyl)furan
CID 23058069
1-[4-(3,3-difluoropropyl)phenyl]-N-methoxymethanamine
CID 117306564
5-[(methoxyamino)methyl]-2,3-dimethylphenol
CID 117278874
1-[4-(2-fluoroethyl)phenyl]-N-methoxymethanamine
CID 117279581

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[5-(trifluoromethyl)furan-3-yl]methanamine?
The IUPAC name of N-methoxy-1-[5-(trifluoromethyl)furan-3-yl]methanamine (CID 82657153) is N-methoxy-1-[5-(trifluoromethyl)furan-3-yl]methanamine.
What is the SMILES notation for N-methoxy-1-[5-(trifluoromethyl)furan-3-yl]methanamine?
The canonical SMILES for N-methoxy-1-[5-(trifluoromethyl)furan-3-yl]methanamine is CONCc1coc(C(F)(F)F)c1.
What is the InChIKey of N-methoxy-1-[5-(trifluoromethyl)furan-3-yl]methanamine?
The InChIKey is DITAIWVNGBWJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO2/c1-12-11-3-5-2-6(13-4-5)7(8,9)10/h2,4,11H,3H2,1H3.
What are the key properties of N-methoxy-1-[5-(trifluoromethyl)furan-3-yl]methanamine?
N-methoxy-1-[5-(trifluoromethyl)furan-3-yl]methanamine has a molecular weight of 195.14 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[5-(trifluoromethyl)furan-3-yl]methanamine is sourced from PubChem (CID 82657153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).