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

C12H13F2NO2S — CID 43225111

IUPACN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
SMILESFC(F)SCc1ccc(CNCc2ccco2)o1
InChIInChI=1S/C12H13F2NO2S/c13-12(14)18-8-11-4-3-10(17-11)7-15-6-9-2-1-5-16-9/h1-5,12,15H,6-8H2
InChIKeyLVCOFHCHLKFKJS-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.62
Rot. Bonds7

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

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine (PubChem CID 43225111) has the molecular formula C12H13F2NO2S and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
PubChem CID43225111
Molecular FormulaC12H13F2NO2S
Molecular Weight273.30 g/mol
Exact Mass273.06
IUPAC NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
SMILESFC(F)SCc1ccc(CNCc2ccco2)o1
InChIInChI=1S/C12H13F2NO2S/c13-12(14)18-8-11-4-3-10(17-11)7-15-6-9-2-1-5-16-9/h1-5,12,15H,6-8H2
InChIKeyLVCOFHCHLKFKJS-UHFFFAOYSA-N
XLogP3.62
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine (CID 43225111) is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine is FC(F)SCc1ccc(CNCc2ccco2)o1.
What is the InChIKey of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine?
The InChIKey is LVCOFHCHLKFKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2S/c13-12(14)18-8-11-4-3-10(17-11)7-15-6-9-2-1-5-16-9/h1-5,12,15H,6-8H2.
What are the key properties of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine?
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine has a molecular weight of 273.30 g/mol, XLogP of 3.62, 7 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]-1-(furan-2-yl)methanamine is sourced from PubChem (CID 43225111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).