4-[methyl(3,3,3-trifluoropropyl)amino]-1,1-dioxothiolan-3-ol

C8H14F3NO3S — CID 63373089

IUPAC4-[methyl(3,3,3-trifluoropropyl)amino]-1,1-dioxothiolan-3-ol
SMILESCN(CCC(F)(F)F)C1CS(=O)(=O)CC1O
InChIInChI=1S/C8H14F3NO3S/c1-12(3-2-8(9,10)11)6-4-16(14,15)5-7(6)13/h6-7,13H,2-5H2,1H3
InChIKeyXITYFJOWVWOVNF-UHFFFAOYSA-N
MW261.26 g/mol
LogP0.03
Rot. Bonds3

About 4-[methyl(3,3,3-trifluoropropyl)amino]-1,1-dioxothiolan-3-ol

4-[methyl(3,3,3-trifluoropropyl)amino]-1,1-dioxothiolan-3-ol (PubChem CID 63373089) has the molecular formula C8H14F3NO3S and a molecular weight of 261.26 g/mol. Its IUPAC name is 4-[methyl(3,3,3-trifluoropropyl)amino]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-[methyl(3,3,3-trifluoropropyl)amino]-1,1-dioxothiolan-3-ol
PubChem CID63373089
Molecular FormulaC8H14F3NO3S
Molecular Weight261.26 g/mol
Exact Mass261.06
IUPAC Name4-[methyl(3,3,3-trifluoropropyl)amino]-1,1-dioxothiolan-3-ol
SMILESCN(CCC(F)(F)F)C1CS(=O)(=O)CC1O
InChIInChI=1S/C8H14F3NO3S/c1-12(3-2-8(9,10)11)6-4-16(14,15)5-7(6)13/h6-7,13H,2-5H2,1H3
InChIKeyXITYFJOWVWOVNF-UHFFFAOYSA-N
XLogP0.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(3,3,3-trifluoropropyl)amino]-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-[methyl(3,3,3-trifluoropropyl)amino]-1,1-dioxothiolan-3-ol (CID 63373089) is 4-[methyl(3,3,3-trifluoropropyl)amino]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-[methyl(3,3,3-trifluoropropyl)amino]-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-[methyl(3,3,3-trifluoropropyl)amino]-1,1-dioxothiolan-3-ol is CN(CCC(F)(F)F)C1CS(=O)(=O)CC1O.
What is the InChIKey of 4-[methyl(3,3,3-trifluoropropyl)amino]-1,1-dioxothiolan-3-ol?
The InChIKey is XITYFJOWVWOVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3S/c1-12(3-2-8(9,10)11)6-4-16(14,15)5-7(6)13/h6-7,13H,2-5H2,1H3.
What are the key properties of 4-[methyl(3,3,3-trifluoropropyl)amino]-1,1-dioxothiolan-3-ol?
4-[methyl(3,3,3-trifluoropropyl)amino]-1,1-dioxothiolan-3-ol has a molecular weight of 261.26 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(3,3,3-trifluoropropyl)amino]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 63373089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).