ethyl-(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane

C8H17FO3S — CID 66796290

IUPACethyl-(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane
SMILESCCS(=O)(O)(O)C1CCCCC1F
InChIInChI=1S/C8H17FO3S/c1-2-13(10,11,12)8-6-4-3-5-7(8)9/h7-8H,2-6H2,1H3,(H2,10,11,12)
InChIKeyANIQXIYFFQRGED-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.05
Rot. Bonds2

About ethyl-(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane

ethyl-(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane (PubChem CID 66796290) has the molecular formula C8H17FO3S and a molecular weight of 212.29 g/mol. Its IUPAC name is ethyl-(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane.

Molecular Properties

Compound Nameethyl-(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane
PubChem CID66796290
Molecular FormulaC8H17FO3S
Molecular Weight212.29 g/mol
Exact Mass212.09
IUPAC Nameethyl-(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane
SMILESCCS(=O)(O)(O)C1CCCCC1F
InChIInChI=1S/C8H17FO3S/c1-2-13(10,11,12)8-6-4-3-5-7(8)9/h7-8H,2-6H2,1H3,(H2,10,11,12)
InChIKeyANIQXIYFFQRGED-UHFFFAOYSA-N
XLogP2.05
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethyl-(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane?
The IUPAC name of ethyl-(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane (CID 66796290) is ethyl-(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane.
What is the SMILES notation for ethyl-(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane?
The canonical SMILES for ethyl-(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane is CCS(=O)(O)(O)C1CCCCC1F.
What is the InChIKey of ethyl-(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane?
The InChIKey is ANIQXIYFFQRGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO3S/c1-2-13(10,11,12)8-6-4-3-5-7(8)9/h7-8H,2-6H2,1H3,(H2,10,11,12).
What are the key properties of ethyl-(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane?
ethyl-(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane has a molecular weight of 212.29 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane is sourced from PubChem (CID 66796290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).