1-(1,1-dioxothiolan-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine

C10H18F3NO2S — CID 115336788

IUPAC1-(1,1-dioxothiolan-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
SMILESCCNC(CCC(F)(F)F)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H18F3NO2S/c1-2-14-9(3-5-10(11,12)13)8-4-6-17(15,16)7-8/h8-9,14H,2-7H2,1H3
InChIKeyNUAPTFXZRWBNBX-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.74
Rot. Bonds5

About 1-(1,1-dioxothiolan-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine

1-(1,1-dioxothiolan-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine (PubChem CID 115336788) has the molecular formula C10H18F3NO2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
PubChem CID115336788
Molecular FormulaC10H18F3NO2S
Molecular Weight273.32 g/mol
Exact Mass273.10
IUPAC Name1-(1,1-dioxothiolan-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
SMILESCCNC(CCC(F)(F)F)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H18F3NO2S/c1-2-14-9(3-5-10(11,12)13)8-4-6-17(15,16)7-8/h8-9,14H,2-7H2,1H3
InChIKeyNUAPTFXZRWBNBX-UHFFFAOYSA-N
XLogP1.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine (CID 115336788) is 1-(1,1-dioxothiolan-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine is CCNC(CCC(F)(F)F)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
The InChIKey is NUAPTFXZRWBNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2S/c1-2-14-9(3-5-10(11,12)13)8-4-6-17(15,16)7-8/h8-9,14H,2-7H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
1-(1,1-dioxothiolan-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine has a molecular weight of 273.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 115336788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).