(3-fluorocyclohexyl)-dihydroxy-methyl-oxo-λ6-sulfane

C7H15FO3S — CID 66796389

IUPAC(3-fluorocyclohexyl)-dihydroxy-methyl-oxo-λ6-sulfane
SMILESCS(=O)(O)(O)C1CCCC(F)C1
InChIInChI=1S/C7H15FO3S/c1-12(9,10,11)7-4-2-3-6(8)5-7/h6-7H,2-5H2,1H3,(H2,9,10,11)
InChIKeyQSFIOLLDODIMFX-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.66
Rot. Bonds1

About (3-fluorocyclohexyl)-dihydroxy-methyl-oxo-λ6-sulfane

(3-fluorocyclohexyl)-dihydroxy-methyl-oxo-λ6-sulfane (PubChem CID 66796389) has the molecular formula C7H15FO3S and a molecular weight of 198.26 g/mol. Its IUPAC name is (3-fluorocyclohexyl)-dihydroxy-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name(3-fluorocyclohexyl)-dihydroxy-methyl-oxo-λ6-sulfane
PubChem CID66796389
Molecular FormulaC7H15FO3S
Molecular Weight198.26 g/mol
Exact Mass198.07
IUPAC Name(3-fluorocyclohexyl)-dihydroxy-methyl-oxo-λ6-sulfane
SMILESCS(=O)(O)(O)C1CCCC(F)C1
InChIInChI=1S/C7H15FO3S/c1-12(9,10,11)7-4-2-3-6(8)5-7/h6-7H,2-5H2,1H3,(H2,9,10,11)
InChIKeyQSFIOLLDODIMFX-UHFFFAOYSA-N
XLogP1.66
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2R)-1-fluoro-2-methylsulfonylcyclohexane
CID 15122106
1-Fluoro-2-methylsulfonylcyclohexane
CID 66796097
1-Fluoro-3-methylsulfinylcyclohexane
CID 66796146
Ethyl-(2-fluorocyclohexyl)-dihydroxy-oxo-lambda6-sulfane
CID 66796290
(2-Fluorocyclohexyl)-dihydroxy-methyl-oxo-lambda6-sulfane
CID 66796322
1-Fluoro-4-methylsulfonylcyclohexane
CID 66796334
1-Ethylsulfonyl-3-fluorocyclohexane
CID 66796442
Ethyl-(4-fluorocyclohexyl)-dihydroxy-oxo-lambda6-sulfane
CID 66796454
(4-Fluorocyclohexyl)-dihydroxy-methyl-oxo-lambda6-sulfane
CID 66796472
1-Fluoro-3-methylsulfonylcyclohexane
CID 66796483
1-Ethylsulfonyl-2-fluorocyclohexane
CID 66796677
1-Fluoro-2-methylsulfinylcyclohexane
CID 66797038

Frequently Asked Questions

What is the IUPAC name of (3-fluorocyclohexyl)-dihydroxy-methyl-oxo-λ6-sulfane?
The IUPAC name of (3-fluorocyclohexyl)-dihydroxy-methyl-oxo-λ6-sulfane (CID 66796389) is (3-fluorocyclohexyl)-dihydroxy-methyl-oxo-λ6-sulfane.
What is the SMILES notation for (3-fluorocyclohexyl)-dihydroxy-methyl-oxo-λ6-sulfane?
The canonical SMILES for (3-fluorocyclohexyl)-dihydroxy-methyl-oxo-λ6-sulfane is CS(=O)(O)(O)C1CCCC(F)C1.
What is the InChIKey of (3-fluorocyclohexyl)-dihydroxy-methyl-oxo-λ6-sulfane?
The InChIKey is QSFIOLLDODIMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FO3S/c1-12(9,10,11)7-4-2-3-6(8)5-7/h6-7H,2-5H2,1H3,(H2,9,10,11).
What are the key properties of (3-fluorocyclohexyl)-dihydroxy-methyl-oxo-λ6-sulfane?
(3-fluorocyclohexyl)-dihydroxy-methyl-oxo-λ6-sulfane has a molecular weight of 198.26 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorocyclohexyl)-dihydroxy-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 66796389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).