2',3',4'-trifluoro-7'-(fluoromethylsulfonyl)spiro[1,3-dioxolane-2,1'-indene]

C12H8F4O4S — CID 122515435

IUPAC2',3',4'-trifluoro-7'-(fluoromethylsulfonyl)spiro[1,3-dioxolane-2,1'-indene]
SMILESO=S(=O)(CF)c1ccc(F)c2c1C1(OCCO1)C(F)=C2F
InChIInChI=1S/C12H8F4O4S/c13-5-21(17,18)7-2-1-6(14)8-9(7)12(11(16)10(8)15)19-3-4-20-12/h1-2H,3-5H2
InChIKeyNRZICMCYPUIUKI-UHFFFAOYSA-N
MW324.25 g/mol
LogP2.35
Rot. Bonds2

About 2',3',4'-trifluoro-7'-(fluoromethylsulfonyl)spiro[1,3-dioxolane-2,1'-indene]

2',3',4'-trifluoro-7'-(fluoromethylsulfonyl)spiro[1,3-dioxolane-2,1'-indene] (PubChem CID 122515435) has the molecular formula C12H8F4O4S and a molecular weight of 324.25 g/mol. Its IUPAC name is 2',3',4'-trifluoro-7'-(fluoromethylsulfonyl)spiro[1,3-dioxolane-2,1'-indene].

Molecular Properties

Compound Name2',3',4'-trifluoro-7'-(fluoromethylsulfonyl)spiro[1,3-dioxolane-2,1'-indene]
PubChem CID122515435
Molecular FormulaC12H8F4O4S
Molecular Weight324.25 g/mol
Exact Mass324.01
IUPAC Name2',3',4'-trifluoro-7'-(fluoromethylsulfonyl)spiro[1,3-dioxolane-2,1'-indene]
SMILESO=S(=O)(CF)c1ccc(F)c2c1C1(OCCO1)C(F)=C2F
InChIInChI=1S/C12H8F4O4S/c13-5-21(17,18)7-2-1-6(14)8-9(7)12(11(16)10(8)15)19-3-4-20-12/h1-2H,3-5H2
InChIKeyNRZICMCYPUIUKI-UHFFFAOYSA-N
XLogP2.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2',3',4'-trifluoro-7'-(fluoromethylsulfonyl)spiro[1,3-dioxolane-2,1'-indene]?
The IUPAC name of 2',3',4'-trifluoro-7'-(fluoromethylsulfonyl)spiro[1,3-dioxolane-2,1'-indene] (CID 122515435) is 2',3',4'-trifluoro-7'-(fluoromethylsulfonyl)spiro[1,3-dioxolane-2,1'-indene].
What is the SMILES notation for 2',3',4'-trifluoro-7'-(fluoromethylsulfonyl)spiro[1,3-dioxolane-2,1'-indene]?
The canonical SMILES for 2',3',4'-trifluoro-7'-(fluoromethylsulfonyl)spiro[1,3-dioxolane-2,1'-indene] is O=S(=O)(CF)c1ccc(F)c2c1C1(OCCO1)C(F)=C2F.
What is the InChIKey of 2',3',4'-trifluoro-7'-(fluoromethylsulfonyl)spiro[1,3-dioxolane-2,1'-indene]?
The InChIKey is NRZICMCYPUIUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4O4S/c13-5-21(17,18)7-2-1-6(14)8-9(7)12(11(16)10(8)15)19-3-4-20-12/h1-2H,3-5H2.
What are the key properties of 2',3',4'-trifluoro-7'-(fluoromethylsulfonyl)spiro[1,3-dioxolane-2,1'-indene]?
2',3',4'-trifluoro-7'-(fluoromethylsulfonyl)spiro[1,3-dioxolane-2,1'-indene] has a molecular weight of 324.25 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2',3',4'-trifluoro-7'-(fluoromethylsulfonyl)spiro[1,3-dioxolane-2,1'-indene] is sourced from PubChem (CID 122515435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).