1-fluoro-2-[4-(2-fluorocyclohexyl)sulfonylbutylsulfonyl]cyclohexane

C16H28F2O4S2 — CID 66797352

IUPAC1-fluoro-2-[4-(2-fluorocyclohexyl)sulfonylbutylsulfonyl]cyclohexane
SMILESO=S(=O)(CCCCS(=O)(=O)C1CCCCC1F)C1CCCCC1F
InChIInChI=1S/C16H28F2O4S2/c17-13-7-1-3-9-15(13)23(19,20)11-5-6-12-24(21,22)16-10-4-2-8-14(16)18/h13-16H,1-12H2
InChIKeyCWKUZARSBRJNOO-UHFFFAOYSA-N
MW386.53 g/mol
LogP3.16
Rot. Bonds7

About 1-fluoro-2-[4-(2-fluorocyclohexyl)sulfonylbutylsulfonyl]cyclohexane

1-fluoro-2-[4-(2-fluorocyclohexyl)sulfonylbutylsulfonyl]cyclohexane (PubChem CID 66797352) has the molecular formula C16H28F2O4S2 and a molecular weight of 386.53 g/mol. Its IUPAC name is 1-fluoro-2-[4-(2-fluorocyclohexyl)sulfonylbutylsulfonyl]cyclohexane.

Molecular Properties

Compound Name1-fluoro-2-[4-(2-fluorocyclohexyl)sulfonylbutylsulfonyl]cyclohexane
PubChem CID66797352
Molecular FormulaC16H28F2O4S2
Molecular Weight386.53 g/mol
Exact Mass386.14
IUPAC Name1-fluoro-2-[4-(2-fluorocyclohexyl)sulfonylbutylsulfonyl]cyclohexane
SMILESO=S(=O)(CCCCS(=O)(=O)C1CCCCC1F)C1CCCCC1F
InChIInChI=1S/C16H28F2O4S2/c17-13-7-1-3-9-15(13)23(19,20)11-5-6-12-24(21,22)16-10-4-2-8-14(16)18/h13-16H,1-12H2
InChIKeyCWKUZARSBRJNOO-UHFFFAOYSA-N
XLogP3.16
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[4-(2-fluorocyclohexyl)sulfonylbutylsulfonyl]cyclohexane?
The IUPAC name of 1-fluoro-2-[4-(2-fluorocyclohexyl)sulfonylbutylsulfonyl]cyclohexane (CID 66797352) is 1-fluoro-2-[4-(2-fluorocyclohexyl)sulfonylbutylsulfonyl]cyclohexane.
What is the SMILES notation for 1-fluoro-2-[4-(2-fluorocyclohexyl)sulfonylbutylsulfonyl]cyclohexane?
The canonical SMILES for 1-fluoro-2-[4-(2-fluorocyclohexyl)sulfonylbutylsulfonyl]cyclohexane is O=S(=O)(CCCCS(=O)(=O)C1CCCCC1F)C1CCCCC1F.
What is the InChIKey of 1-fluoro-2-[4-(2-fluorocyclohexyl)sulfonylbutylsulfonyl]cyclohexane?
The InChIKey is CWKUZARSBRJNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F2O4S2/c17-13-7-1-3-9-15(13)23(19,20)11-5-6-12-24(21,22)16-10-4-2-8-14(16)18/h13-16H,1-12H2.
What are the key properties of 1-fluoro-2-[4-(2-fluorocyclohexyl)sulfonylbutylsulfonyl]cyclohexane?
1-fluoro-2-[4-(2-fluorocyclohexyl)sulfonylbutylsulfonyl]cyclohexane has a molecular weight of 386.53 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[4-(2-fluorocyclohexyl)sulfonylbutylsulfonyl]cyclohexane is sourced from PubChem (CID 66797352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).