N-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide

C13H11F6NO3S — CID 21179814

IUPACN-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(N(c1cccc(C(F)(F)F)c1)C1CCS(=O)(=O)C1)C(F)(F)F
InChIInChI=1S/C13H11F6NO3S/c14-12(15,16)8-2-1-3-9(6-8)20(11(21)13(17,18)19)10-4-5-24(22,23)7-10/h1-3,6,10H,4-5,7H2
InChIKeySVOZWAIAVZAITB-UHFFFAOYSA-N
MW375.29 g/mol
LogP2.79
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide

N-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 21179814) has the molecular formula C13H11F6NO3S and a molecular weight of 375.29 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID21179814
Molecular FormulaC13H11F6NO3S
Molecular Weight375.29 g/mol
Exact Mass375.04
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(N(c1cccc(C(F)(F)F)c1)C1CCS(=O)(=O)C1)C(F)(F)F
InChIInChI=1S/C13H11F6NO3S/c14-12(15,16)8-2-1-3-9(6-8)20(11(21)13(17,18)19)10-4-5-24(22,23)7-10/h1-3,6,10H,4-5,7H2
InChIKeySVOZWAIAVZAITB-UHFFFAOYSA-N
XLogP2.79
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-2,2,2-trifluoro-N-(4-methylphenyl)acetamide
CID 7116141
N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8781862
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(trifluoromethyl)benzamide
CID 8781843
1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-[3-(trifluoromethyl)phenyl]urea
CID 108989832
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)benzamide
CID 18573610
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8501492
N-(1,1-dioxothiolan-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 102566375
(3R)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiolan-3-amine
CID 7116118
N-(3,4-dimethylphenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7115982
1-N-(1,1-dioxothiolan-3-yl)-1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine
CID 43648523
2,2,2-trichloro-N-(2,3-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 21179831
N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 42999407

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide (CID 21179814) is N-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(N(c1cccc(C(F)(F)F)c1)C1CCS(=O)(=O)C1)C(F)(F)F.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SVOZWAIAVZAITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F6NO3S/c14-12(15,16)8-2-1-3-9(6-8)20(11(21)13(17,18)19)10-4-5-24(22,23)7-10/h1-3,6,10H,4-5,7H2.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide?
N-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 375.29 g/mol, XLogP of 2.79, 2 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)-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 21179814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).