2-(1-amino-2,2-difluoropropyl)-6-methylsulfanyloxane-3,4,5-triol

C9H17F2NO4S — CID 69474328

IUPAC2-(1-amino-2,2-difluoropropyl)-6-methylsulfanyloxane-3,4,5-triol
SMILESCSC1OC(C(N)C(C)(F)F)C(O)C(O)C1O
InChIInChI=1S/C9H17F2NO4S/c1-9(10,11)7(12)6-4(14)3(13)5(15)8(16-6)17-2/h3-8,13-15H,12H2,1-2H3
InChIKeyGJIGHUKLFFGPML-UHFFFAOYSA-N
MW273.30 g/mol
LogP-0.86
Rot. Bonds3

About 2-(1-amino-2,2-difluoropropyl)-6-methylsulfanyloxane-3,4,5-triol

2-(1-amino-2,2-difluoropropyl)-6-methylsulfanyloxane-3,4,5-triol (PubChem CID 69474328) has the molecular formula C9H17F2NO4S and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-(1-amino-2,2-difluoropropyl)-6-methylsulfanyloxane-3,4,5-triol.

Molecular Properties

Compound Name2-(1-amino-2,2-difluoropropyl)-6-methylsulfanyloxane-3,4,5-triol
PubChem CID69474328
Molecular FormulaC9H17F2NO4S
Molecular Weight273.30 g/mol
Exact Mass273.08
IUPAC Name2-(1-amino-2,2-difluoropropyl)-6-methylsulfanyloxane-3,4,5-triol
SMILESCSC1OC(C(N)C(C)(F)F)C(O)C(O)C1O
InChIInChI=1S/C9H17F2NO4S/c1-9(10,11)7(12)6-4(14)3(13)5(15)8(16-6)17-2/h3-8,13-15H,12H2,1-2H3
InChIKeyGJIGHUKLFFGPML-UHFFFAOYSA-N
XLogP-0.86
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2,2-difluoropropyl)-6-methylsulfanyloxane-3,4,5-triol?
The IUPAC name of 2-(1-amino-2,2-difluoropropyl)-6-methylsulfanyloxane-3,4,5-triol (CID 69474328) is 2-(1-amino-2,2-difluoropropyl)-6-methylsulfanyloxane-3,4,5-triol.
What is the SMILES notation for 2-(1-amino-2,2-difluoropropyl)-6-methylsulfanyloxane-3,4,5-triol?
The canonical SMILES for 2-(1-amino-2,2-difluoropropyl)-6-methylsulfanyloxane-3,4,5-triol is CSC1OC(C(N)C(C)(F)F)C(O)C(O)C1O.
What is the InChIKey of 2-(1-amino-2,2-difluoropropyl)-6-methylsulfanyloxane-3,4,5-triol?
The InChIKey is GJIGHUKLFFGPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO4S/c1-9(10,11)7(12)6-4(14)3(13)5(15)8(16-6)17-2/h3-8,13-15H,12H2,1-2H3.
What are the key properties of 2-(1-amino-2,2-difluoropropyl)-6-methylsulfanyloxane-3,4,5-triol?
2-(1-amino-2,2-difluoropropyl)-6-methylsulfanyloxane-3,4,5-triol has a molecular weight of 273.30 g/mol, XLogP of -0.86, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2,2-difluoropropyl)-6-methylsulfanyloxane-3,4,5-triol is sourced from PubChem (CID 69474328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).