1,1-dioxo-3-(2,2,2-trifluoroethyl)thiolan-3-amine

C6H10F3NO2S — CID 105470640

IUPAC1,1-dioxo-3-(2,2,2-trifluoroethyl)thiolan-3-amine
SMILESNC1(CC(F)(F)F)CCS(=O)(=O)C1
InChIInChI=1S/C6H10F3NO2S/c7-6(8,9)3-5(10)1-2-13(11,12)4-5/h1-4,10H2
InChIKeyGOYSYYYUOCGKMI-UHFFFAOYSA-N
MW217.21 g/mol
LogP0.45
Rot. Bonds1

About 1,1-dioxo-3-(2,2,2-trifluoroethyl)thiolan-3-amine

1,1-dioxo-3-(2,2,2-trifluoroethyl)thiolan-3-amine (PubChem CID 105470640) has the molecular formula C6H10F3NO2S and a molecular weight of 217.21 g/mol. Its IUPAC name is 1,1-dioxo-3-(2,2,2-trifluoroethyl)thiolan-3-amine.

Molecular Properties

Compound Name1,1-dioxo-3-(2,2,2-trifluoroethyl)thiolan-3-amine
PubChem CID105470640
Molecular FormulaC6H10F3NO2S
Molecular Weight217.21 g/mol
Exact Mass217.04
IUPAC Name1,1-dioxo-3-(2,2,2-trifluoroethyl)thiolan-3-amine
SMILESNC1(CC(F)(F)F)CCS(=O)(=O)C1
InChIInChI=1S/C6H10F3NO2S/c7-6(8,9)3-5(10)1-2-13(11,12)4-5/h1-4,10H2
InChIKeyGOYSYYYUOCGKMI-UHFFFAOYSA-N
XLogP0.45
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-difluoropropyl)-1,1-dioxothiolan-3-amine
CID 115028281
1,1-dioxo-3-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-amine
CID 115338117
3-[(2-methylpropan-2-yl)oxymethyl]-1,1-dioxothiolan-3-amine
CID 130564508
1-(2,2,2-trifluoroethyl)cyclopentan-1-amine
CID 82413873
1-(2,2,2-trifluoroethyl)cyclooctan-1-amine
CID 130515486
1,1-dioxo-3-(2,2,2-trifluoroethyl)thiolane-3-carboxylic acid
CID 115337894
3-(cyclohexylmethyl)-1,1-dioxothiolan-3-amine
CID 115338022
3-[(3,4-difluorophenyl)methyl]-1,1-dioxothiolan-3-amine
CID 82934572
[1,1-dioxo-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol
CID 63166303
3,3,3-trifluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 146124342
3-[(4-chloro-2-fluorophenyl)methyl]-1,1-dioxothiolan-3-amine
CID 114861676
1,1-dioxo-3-(4,4,4-trifluorobutyl)thiolan-3-ol
CID 115515292

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-3-(2,2,2-trifluoroethyl)thiolan-3-amine?
The IUPAC name of 1,1-dioxo-3-(2,2,2-trifluoroethyl)thiolan-3-amine (CID 105470640) is 1,1-dioxo-3-(2,2,2-trifluoroethyl)thiolan-3-amine.
What is the SMILES notation for 1,1-dioxo-3-(2,2,2-trifluoroethyl)thiolan-3-amine?
The canonical SMILES for 1,1-dioxo-3-(2,2,2-trifluoroethyl)thiolan-3-amine is NC1(CC(F)(F)F)CCS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxo-3-(2,2,2-trifluoroethyl)thiolan-3-amine?
The InChIKey is GOYSYYYUOCGKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2S/c7-6(8,9)3-5(10)1-2-13(11,12)4-5/h1-4,10H2.
What are the key properties of 1,1-dioxo-3-(2,2,2-trifluoroethyl)thiolan-3-amine?
1,1-dioxo-3-(2,2,2-trifluoroethyl)thiolan-3-amine has a molecular weight of 217.21 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-3-(2,2,2-trifluoroethyl)thiolan-3-amine is sourced from PubChem (CID 105470640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).