ethyl-(4-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane

C8H17FO3S — CID 66796454

IUPACethyl-(4-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane
SMILESCCS(=O)(O)(O)C1CCC(F)CC1
InChIInChI=1S/C8H17FO3S/c1-2-13(10,11,12)8-5-3-7(9)4-6-8/h7-8H,2-6H2,1H3,(H2,10,11,12)
InChIKeyDAESFDYRNMUSEP-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.05
Rot. Bonds2

About ethyl-(4-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane

ethyl-(4-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane (PubChem CID 66796454) has the molecular formula C8H17FO3S and a molecular weight of 212.29 g/mol. Its IUPAC name is ethyl-(4-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane.

Molecular Properties

Compound Nameethyl-(4-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane
PubChem CID66796454
Molecular FormulaC8H17FO3S
Molecular Weight212.29 g/mol
Exact Mass212.09
IUPAC Nameethyl-(4-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane
SMILESCCS(=O)(O)(O)C1CCC(F)CC1
InChIInChI=1S/C8H17FO3S/c1-2-13(10,11,12)8-5-3-7(9)4-6-8/h7-8H,2-6H2,1H3,(H2,10,11,12)
InChIKeyDAESFDYRNMUSEP-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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Related Compounds

Bis(3-fluorocyclohexyl)-dihydroxy-oxo-lambda6-sulfane
CID 66796001
(4-Fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-lambda6-sulfane
CID 66796050
Bis(2-fluorocyclohexyl)-dihydroxy-oxo-lambda6-sulfane
CID 66796066
(2-Fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-lambda6-sulfane
CID 66796121
1-Ethylsulfinyl-2-fluorocyclohexane
CID 66796157
1-Ethylsulfinyl-3-fluorocyclohexane
CID 66796170
1-Ethylsulfinyl-4-fluorocyclohexane
CID 66796229
Ethyl-(2-fluorocyclohexyl)-dihydroxy-oxo-lambda6-sulfane
CID 66796290
(2-Fluorocyclohexyl)-dihydroxy-methyl-oxo-lambda6-sulfane
CID 66796322
(3-Fluorocyclohexyl)-dihydroxy-methyl-oxo-lambda6-sulfane
CID 66796389
1-Ethylsulfonyl-3-fluorocyclohexane
CID 66796442
(4-Fluorocyclohexyl)-dihydroxy-methyl-oxo-lambda6-sulfane
CID 66796472

Frequently Asked Questions

What is the IUPAC name of ethyl-(4-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane?
The IUPAC name of ethyl-(4-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane (CID 66796454) is ethyl-(4-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane.
What is the SMILES notation for ethyl-(4-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane?
The canonical SMILES for ethyl-(4-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane is CCS(=O)(O)(O)C1CCC(F)CC1.
What is the InChIKey of ethyl-(4-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane?
The InChIKey is DAESFDYRNMUSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO3S/c1-2-13(10,11,12)8-5-3-7(9)4-6-8/h7-8H,2-6H2,1H3,(H2,10,11,12).
What are the key properties of ethyl-(4-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane?
ethyl-(4-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-(4-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane is sourced from PubChem (CID 66796454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).