[1,1-difluoro-2-oxo-3-(3-tricyclo[3.3.1.03,7]nonanyl)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide

C13H15F5NO5S2- — CID 58100521

IUPAC[1,1-difluoro-2-oxo-3-(3-tricyclo[3.3.1.03,7]nonanyl)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESO=C(CC12CC3CC(CC1C3)C2)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H15F5NO5S2/c14-12(15,25(21,22)19-26(23,24)13(16,17)18)10(20)6-11-4-7-1-8(5-11)3-9(11)2-7/h7-9H,1-6H2/q-1
InChIKeyRLDPOJOGOAVAEL-UHFFFAOYSA-N
MW424.39 g/mol
LogP2.92
Rot. Bonds6

About [1,1-difluoro-2-oxo-3-(3-tricyclo[3.3.1.03,7]nonanyl)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide

[1,1-difluoro-2-oxo-3-(3-tricyclo[3.3.1.03,7]nonanyl)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide (PubChem CID 58100521) has the molecular formula C13H15F5NO5S2- and a molecular weight of 424.39 g/mol. Its IUPAC name is [1,1-difluoro-2-oxo-3-(3-tricyclo[3.3.1.03,7]nonanyl)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name[1,1-difluoro-2-oxo-3-(3-tricyclo[3.3.1.03,7]nonanyl)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide
PubChem CID58100521
Molecular FormulaC13H15F5NO5S2-
Molecular Weight424.39 g/mol
Exact Mass424.03
IUPAC Name[1,1-difluoro-2-oxo-3-(3-tricyclo[3.3.1.03,7]nonanyl)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESO=C(CC12CC3CC(CC1C3)C2)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H15F5NO5S2/c14-12(15,25(21,22)19-26(23,24)13(16,17)18)10(20)6-11-4-7-1-8(5-11)3-9(11)2-7/h7-9H,1-6H2/q-1
InChIKeyRLDPOJOGOAVAEL-UHFFFAOYSA-N
XLogP2.92
TPSA99.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1,1-difluoro-2-oxo-3-(3-tricyclo[3.3.1.03,7]nonanyl)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The IUPAC name of [1,1-difluoro-2-oxo-3-(3-tricyclo[3.3.1.03,7]nonanyl)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide (CID 58100521) is [1,1-difluoro-2-oxo-3-(3-tricyclo[3.3.1.03,7]nonanyl)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for [1,1-difluoro-2-oxo-3-(3-tricyclo[3.3.1.03,7]nonanyl)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for [1,1-difluoro-2-oxo-3-(3-tricyclo[3.3.1.03,7]nonanyl)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide is O=C(CC12CC3CC(CC1C3)C2)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.
What is the InChIKey of [1,1-difluoro-2-oxo-3-(3-tricyclo[3.3.1.03,7]nonanyl)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The InChIKey is RLDPOJOGOAVAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F5NO5S2/c14-12(15,25(21,22)19-26(23,24)13(16,17)18)10(20)6-11-4-7-1-8(5-11)3-9(11)2-7/h7-9H,1-6H2/q-1.
What are the key properties of [1,1-difluoro-2-oxo-3-(3-tricyclo[3.3.1.03,7]nonanyl)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
[1,1-difluoro-2-oxo-3-(3-tricyclo[3.3.1.03,7]nonanyl)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide has a molecular weight of 424.39 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1-difluoro-2-oxo-3-(3-tricyclo[3.3.1.03,7]nonanyl)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 58100521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).