N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methoxyethanamine

C10H15F2NO2S — CID 43225116

IUPACN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(CSC(F)F)o1
InChIInChI=1S/C10H15F2NO2S/c1-14-5-4-13-6-8-2-3-9(15-8)7-16-10(11)12/h2-3,10,13H,4-7H2,1H3
InChIKeyHHWAIHUBEUIKJV-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.47
Rot. Bonds8

About N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methoxyethanamine

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methoxyethanamine (PubChem CID 43225116) has the molecular formula C10H15F2NO2S and a molecular weight of 251.30 g/mol. Its IUPAC name is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methoxyethanamine
PubChem CID43225116
Molecular FormulaC10H15F2NO2S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(CSC(F)F)o1
InChIInChI=1S/C10H15F2NO2S/c1-14-5-4-13-6-8-2-3-9(15-8)7-16-10(11)12/h2-3,10,13H,4-7H2,1H3
InChIKeyHHWAIHUBEUIKJV-UHFFFAOYSA-N
XLogP2.47
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methoxyethanamine (CID 43225116) is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methoxyethanamine is COCCNCc1ccc(CSC(F)F)o1.
What is the InChIKey of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is HHWAIHUBEUIKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2S/c1-14-5-4-13-6-8-2-3-9(15-8)7-16-10(11)12/h2-3,10,13H,4-7H2,1H3.
What are the key properties of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methoxyethanamine?
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 251.30 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 43225116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).