adamantane-1,3-disulfonyl fluoride

C10H14F2O4S2 — CID 139363321

IUPACadamantane-1,3-disulfonyl fluoride
SMILESO=S(=O)(F)C12CC3CC(C1)CC(S(=O)(=O)F)(C3)C2
InChIInChI=1S/C10H14F2O4S2/c11-17(13,14)9-2-7-1-8(4-9)5-10(3-7,6-9)18(12,15)16/h7-8H,1-6H2
InChIKeyGCHCYRHAUZQLFB-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.68
Rot. Bonds2

About adamantane-1,3-disulfonyl fluoride

adamantane-1,3-disulfonyl fluoride (PubChem CID 139363321) has the molecular formula C10H14F2O4S2 and a molecular weight of 300.35 g/mol. Its IUPAC name is adamantane-1,3-disulfonyl fluoride.

Molecular Properties

Compound Nameadamantane-1,3-disulfonyl fluoride
PubChem CID139363321
Molecular FormulaC10H14F2O4S2
Molecular Weight300.35 g/mol
Exact Mass300.03
IUPAC Nameadamantane-1,3-disulfonyl fluoride
SMILESO=S(=O)(F)C12CC3CC(C1)CC(S(=O)(=O)F)(C3)C2
InChIInChI=1S/C10H14F2O4S2/c11-17(13,14)9-2-7-1-8(4-9)5-10(3-7,6-9)18(12,15)16/h7-8H,1-6H2
InChIKeyGCHCYRHAUZQLFB-UHFFFAOYSA-N
XLogP1.68
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of adamantane-1,3-disulfonyl fluoride?
The IUPAC name of adamantane-1,3-disulfonyl fluoride (CID 139363321) is adamantane-1,3-disulfonyl fluoride.
What is the SMILES notation for adamantane-1,3-disulfonyl fluoride?
The canonical SMILES for adamantane-1,3-disulfonyl fluoride is O=S(=O)(F)C12CC3CC(C1)CC(S(=O)(=O)F)(C3)C2.
What is the InChIKey of adamantane-1,3-disulfonyl fluoride?
The InChIKey is GCHCYRHAUZQLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O4S2/c11-17(13,14)9-2-7-1-8(4-9)5-10(3-7,6-9)18(12,15)16/h7-8H,1-6H2.
What are the key properties of adamantane-1,3-disulfonyl fluoride?
adamantane-1,3-disulfonyl fluoride has a molecular weight of 300.35 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane-1,3-disulfonyl fluoride is sourced from PubChem (CID 139363321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).