3-[(1,1-dioxothiolan-3-yl)methyl-methylamino]-1,1,1-trifluoro-2-methylpropan-2-ol

C10H18F3NO3S — CID 136540109

IUPAC3-[(1,1-dioxothiolan-3-yl)methyl-methylamino]-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCN(CC1CCS(=O)(=O)C1)CC(C)(O)C(F)(F)F
InChIInChI=1S/C10H18F3NO3S/c1-9(15,10(11,12)13)7-14(2)5-8-3-4-18(16,17)6-8/h8,15H,3-7H2,1-2H3
InChIKeyANWNZZGZABNXHX-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.67
Rot. Bonds4

About 3-[(1,1-dioxothiolan-3-yl)methyl-methylamino]-1,1,1-trifluoro-2-methylpropan-2-ol

3-[(1,1-dioxothiolan-3-yl)methyl-methylamino]-1,1,1-trifluoro-2-methylpropan-2-ol (PubChem CID 136540109) has the molecular formula C10H18F3NO3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-3-yl)methyl-methylamino]-1,1,1-trifluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-3-yl)methyl-methylamino]-1,1,1-trifluoro-2-methylpropan-2-ol
PubChem CID136540109
Molecular FormulaC10H18F3NO3S
Molecular Weight289.32 g/mol
Exact Mass289.10
IUPAC Name3-[(1,1-dioxothiolan-3-yl)methyl-methylamino]-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCN(CC1CCS(=O)(=O)C1)CC(C)(O)C(F)(F)F
InChIInChI=1S/C10H18F3NO3S/c1-9(15,10(11,12)13)7-14(2)5-8-3-4-18(16,17)6-8/h8,15H,3-7H2,1-2H3
InChIKeyANWNZZGZABNXHX-UHFFFAOYSA-N
XLogP0.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-3-yl)methyl-methylamino]-1,1,1-trifluoro-2-methylpropan-2-ol?
The IUPAC name of 3-[(1,1-dioxothiolan-3-yl)methyl-methylamino]-1,1,1-trifluoro-2-methylpropan-2-ol (CID 136540109) is 3-[(1,1-dioxothiolan-3-yl)methyl-methylamino]-1,1,1-trifluoro-2-methylpropan-2-ol.
What is the SMILES notation for 3-[(1,1-dioxothiolan-3-yl)methyl-methylamino]-1,1,1-trifluoro-2-methylpropan-2-ol?
The canonical SMILES for 3-[(1,1-dioxothiolan-3-yl)methyl-methylamino]-1,1,1-trifluoro-2-methylpropan-2-ol is CN(CC1CCS(=O)(=O)C1)CC(C)(O)C(F)(F)F.
What is the InChIKey of 3-[(1,1-dioxothiolan-3-yl)methyl-methylamino]-1,1,1-trifluoro-2-methylpropan-2-ol?
The InChIKey is ANWNZZGZABNXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3S/c1-9(15,10(11,12)13)7-14(2)5-8-3-4-18(16,17)6-8/h8,15H,3-7H2,1-2H3.
What are the key properties of 3-[(1,1-dioxothiolan-3-yl)methyl-methylamino]-1,1,1-trifluoro-2-methylpropan-2-ol?
3-[(1,1-dioxothiolan-3-yl)methyl-methylamino]-1,1,1-trifluoro-2-methylpropan-2-ol has a molecular weight of 289.32 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiolan-3-yl)methyl-methylamino]-1,1,1-trifluoro-2-methylpropan-2-ol is sourced from PubChem (CID 136540109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).