1,1,1-trifluoro-3-oxo-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propane-2-sulfonyl fluoride

C7H3F10NO4S — CID 23262933

IUPAC1,1,1-trifluoro-3-oxo-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propane-2-sulfonyl fluoride
SMILESO=C(NC(=O)C(C(F)(F)F)S(=O)(=O)F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H3F10NO4S/c8-5(9,10)1(6(11,12)13)3(19)18-4(20)2(7(14,15)16)23(17,21)22/h1-2H,(H,18,19,20)
InChIKeyAZZCPVFOFPVEKS-UHFFFAOYSA-N
MW387.15 g/mol
LogP1.60
Rot. Bonds3

About 1,1,1-trifluoro-3-oxo-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propane-2-sulfonyl fluoride

1,1,1-trifluoro-3-oxo-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propane-2-sulfonyl fluoride (PubChem CID 23262933) has the molecular formula C7H3F10NO4S and a molecular weight of 387.15 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-oxo-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propane-2-sulfonyl fluoride.

Molecular Properties

Compound Name1,1,1-trifluoro-3-oxo-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propane-2-sulfonyl fluoride
PubChem CID23262933
Molecular FormulaC7H3F10NO4S
Molecular Weight387.15 g/mol
Exact Mass386.96
IUPAC Name1,1,1-trifluoro-3-oxo-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propane-2-sulfonyl fluoride
SMILESO=C(NC(=O)C(C(F)(F)F)S(=O)(=O)F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H3F10NO4S/c8-5(9,10)1(6(11,12)13)3(19)18-4(20)2(7(14,15)16)23(17,21)22/h1-2H,(H,18,19,20)
InChIKeyAZZCPVFOFPVEKS-UHFFFAOYSA-N
XLogP1.60
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.15
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-oxo-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propane-2-sulfonyl fluoride?
The IUPAC name of 1,1,1-trifluoro-3-oxo-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propane-2-sulfonyl fluoride (CID 23262933) is 1,1,1-trifluoro-3-oxo-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propane-2-sulfonyl fluoride.
What is the SMILES notation for 1,1,1-trifluoro-3-oxo-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propane-2-sulfonyl fluoride?
The canonical SMILES for 1,1,1-trifluoro-3-oxo-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propane-2-sulfonyl fluoride is O=C(NC(=O)C(C(F)(F)F)S(=O)(=O)F)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-oxo-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propane-2-sulfonyl fluoride?
The InChIKey is AZZCPVFOFPVEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F10NO4S/c8-5(9,10)1(6(11,12)13)3(19)18-4(20)2(7(14,15)16)23(17,21)22/h1-2H,(H,18,19,20).
What are the key properties of 1,1,1-trifluoro-3-oxo-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propane-2-sulfonyl fluoride?
1,1,1-trifluoro-3-oxo-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propane-2-sulfonyl fluoride has a molecular weight of 387.15 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-oxo-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propane-2-sulfonyl fluoride is sourced from PubChem (CID 23262933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).