1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-methoxymethanamine

C8H11F2NO2S — CID 82706312

IUPAC1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-methoxymethanamine
SMILESCONCc1ccc(CSC(F)F)o1
InChIInChI=1S/C8H11F2NO2S/c1-12-11-4-6-2-3-7(13-6)5-14-8(9)10/h2-3,8,11H,4-5H2,1H3
InChIKeyUUBSUISSGRIRPH-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.39
Rot. Bonds6

About 1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-methoxymethanamine

1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-methoxymethanamine (PubChem CID 82706312) has the molecular formula C8H11F2NO2S and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-methoxymethanamine.

Molecular Properties

Compound Name1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-methoxymethanamine
PubChem CID82706312
Molecular FormulaC8H11F2NO2S
Molecular Weight223.24 g/mol
Exact Mass223.05
IUPAC Name1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-methoxymethanamine
SMILESCONCc1ccc(CSC(F)F)o1
InChIInChI=1S/C8H11F2NO2S/c1-12-11-4-6-2-3-7(13-6)5-14-8(9)10/h2-3,8,11H,4-5H2,1H3
InChIKeyUUBSUISSGRIRPH-UHFFFAOYSA-N
XLogP2.39
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-4-methoxybutan-2-amine
CID 62734092
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2,3-dimethylbutan-1-amine
CID 64569884
2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propan-1-ol
CID 43776345
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-methylpentan-3-amine
CID 113237061
5-(difluoromethylsulfanylmethyl)-N-methoxyfuran-2-carboxamide
CID 60735591
methyl 4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]butanoate
CID 54920813
1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]butan-2-ol
CID 113492063
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine
CID 43225249
[5-(difluoromethylsulfanylmethyl)furan-2-yl]methanol
CID 43753545
N'-cyclopropyl-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-N'-methylethane-1,2-diamine
CID 55140063
(1R)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(4-fluorophenyl)ethanamine
CID 81350621
2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpropanamide
CID 61220171

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-methoxymethanamine?
The IUPAC name of 1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-methoxymethanamine (CID 82706312) is 1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-methoxymethanamine.
What is the SMILES notation for 1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-methoxymethanamine?
The canonical SMILES for 1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-methoxymethanamine is CONCc1ccc(CSC(F)F)o1.
What is the InChIKey of 1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-methoxymethanamine?
The InChIKey is UUBSUISSGRIRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO2S/c1-12-11-4-6-2-3-7(13-6)5-14-8(9)10/h2-3,8,11H,4-5H2,1H3.
What are the key properties of 1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-methoxymethanamine?
1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-methoxymethanamine has a molecular weight of 223.24 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-methoxymethanamine is sourced from PubChem (CID 82706312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).