1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]butan-2-ol

C11H17F2NO2S — CID 113492063

IUPAC1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]butan-2-ol
SMILESCCC(O)CNCc1ccc(CSC(F)F)o1
InChIInChI=1S/C11H17F2NO2S/c1-2-8(15)5-14-6-9-3-4-10(16-9)7-17-11(12)13/h3-4,8,11,14-15H,2,5-7H2,1H3
InChIKeyGRQHPIBJZARNRQ-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.60
Rot. Bonds8

About 1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]butan-2-ol

1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]butan-2-ol (PubChem CID 113492063) has the molecular formula C11H17F2NO2S and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]butan-2-ol.

Molecular Properties

Compound Name1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]butan-2-ol
PubChem CID113492063
Molecular FormulaC11H17F2NO2S
Molecular Weight265.32 g/mol
Exact Mass265.09
IUPAC Name1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]butan-2-ol
SMILESCCC(O)CNCc1ccc(CSC(F)F)o1
InChIInChI=1S/C11H17F2NO2S/c1-2-8(15)5-14-6-9-3-4-10(16-9)7-17-11(12)13/h3-4,8,11,14-15H,2,5-7H2,1H3
InChIKeyGRQHPIBJZARNRQ-UHFFFAOYSA-N
XLogP2.60
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]butan-2-ol with MolForge

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Related Compounds

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2,3-dimethylbutan-1-amine
CID 64569884
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine
CID 43225249
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
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-ethylsulfinylethanamine
CID 113237595
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 60957475
1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-methoxymethanamine
CID 82706312
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43225173
5-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpentan-1-ol
CID 103859480
methyl 4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]butanoate
CID 54920813
[1-[[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclopropyl]methanol
CID 79479183
[5-(difluoromethylsulfanylmethyl)furan-2-yl]methanol
CID 43753545

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]butan-2-ol?
The IUPAC name of 1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]butan-2-ol (CID 113492063) is 1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]butan-2-ol.
What is the SMILES notation for 1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]butan-2-ol?
The canonical SMILES for 1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]butan-2-ol is CCC(O)CNCc1ccc(CSC(F)F)o1.
What is the InChIKey of 1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]butan-2-ol?
The InChIKey is GRQHPIBJZARNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2S/c1-2-8(15)5-14-6-9-3-4-10(16-9)7-17-11(12)13/h3-4,8,11,14-15H,2,5-7H2,1H3.
What are the key properties of 1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]butan-2-ol?
1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]butan-2-ol has a molecular weight of 265.32 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]butan-2-ol is sourced from PubChem (CID 113492063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).