1-(2,2-difluoroethylamino)-2-methyl-3-methylsulfanylpropan-2-ol

C7H15F2NOS — CID 106247103

IUPAC1-(2,2-difluoroethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNCC(F)F
InChIInChI=1S/C7H15F2NOS/c1-7(11,5-12-2)4-10-3-6(8)9/h6,10-11H,3-5H2,1-2H3
InChIKeyFVEUWFXSDCLRPT-UHFFFAOYSA-N
MW199.27 g/mol
LogP0.96
Rot. Bonds6

About 1-(2,2-difluoroethylamino)-2-methyl-3-methylsulfanylpropan-2-ol

1-(2,2-difluoroethylamino)-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 106247103) has the molecular formula C7H15F2NOS and a molecular weight of 199.27 g/mol. Its IUPAC name is 1-(2,2-difluoroethylamino)-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2,2-difluoroethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID106247103
Molecular FormulaC7H15F2NOS
Molecular Weight199.27 g/mol
Exact Mass199.08
IUPAC Name1-(2,2-difluoroethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNCC(F)F
InChIInChI=1S/C7H15F2NOS/c1-7(11,5-12-2)4-10-3-6(8)9/h6,10-11H,3-5H2,1-2H3
InChIKeyFVEUWFXSDCLRPT-UHFFFAOYSA-N
XLogP0.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-(2,2-difluoroethylamino)-2-methyl-3-methylsulfanylpropan-2-ol (CID 106247103) is 1-(2,2-difluoroethylamino)-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(2,2-difluoroethylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-(2,2-difluoroethylamino)-2-methyl-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is FVEUWFXSDCLRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NOS/c1-7(11,5-12-2)4-10-3-6(8)9/h6,10-11H,3-5H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
1-(2,2-difluoroethylamino)-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 199.27 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethylamino)-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 106247103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).