N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropanamide

C9H13F4NO3S — CID 103732386

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropanamide
SMILESCCN(C(=O)C(F)(F)C(F)F)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H13F4NO3S/c1-2-14(6-3-4-18(16,17)5-6)8(15)9(12,13)7(10)11/h6-7H,2-5H2,1H3
InChIKeyBSIJCXGWIGREJC-UHFFFAOYSA-N
MW291.27 g/mol
LogP0.92
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropanamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropanamide (PubChem CID 103732386) has the molecular formula C9H13F4NO3S and a molecular weight of 291.27 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropanamide
PubChem CID103732386
Molecular FormulaC9H13F4NO3S
Molecular Weight291.27 g/mol
Exact Mass291.06
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropanamide
SMILESCCN(C(=O)C(F)(F)C(F)F)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H13F4NO3S/c1-2-14(6-3-4-18(16,17)5-6)8(15)9(12,13)7(10)11/h6-7H,2-5H2,1H3
InChIKeyBSIJCXGWIGREJC-UHFFFAOYSA-N
XLogP0.92
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,2-trifluoroacetamide
CID 63374753
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 63680610
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2-dimethyl-N'-propan-2-ylpropanediamide
CID 108957229
1-(1,1-dioxothiolan-3-yl)-1,3,3-triethylurea
CID 108989786
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 78973243
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[ethyl(methyl)amino]acetamide
CID 60516837
N-(1,1-dioxothiolan-3-yl)-2-(dipropylamino)-N-ethylacetamide
CID 109003505
N-cycloheptyl-N'-(1,1-dioxothiolan-3-yl)-N'-ethyl-2,2-dimethylpropanediamide
CID 108965235
2-[2,2-dimethylpropanoyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 60844672
3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-1-ethylurea
CID 47238302
N-butyl-N-(1,1-dioxothiolan-3-yl)-2,2-difluoroacetamide
CID 103514735
ethyl 2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoacetate
CID 7732470

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropanamide (CID 103732386) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropanamide is CCN(C(=O)C(F)(F)C(F)F)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropanamide?
The InChIKey is BSIJCXGWIGREJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4NO3S/c1-2-14(6-3-4-18(16,17)5-6)8(15)9(12,13)7(10)11/h6-7H,2-5H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropanamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropanamide has a molecular weight of 291.27 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103732386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).