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

C7H15FO3S — CID 66796322

IUPAC(2-fluorocyclohexyl)-dihydroxy-methyl-oxo-λ6-sulfane
SMILESCS(=O)(O)(O)C1CCCCC1F
InChIInChI=1S/C7H15FO3S/c1-12(9,10,11)7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3,(H2,9,10,11)
InChIKeyBTQARHPOURRIKB-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.66
Rot. Bonds1

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

(2-fluorocyclohexyl)-dihydroxy-methyl-oxo-λ6-sulfane (PubChem CID 66796322) has the molecular formula C7H15FO3S and a molecular weight of 198.26 g/mol. Its IUPAC name is (2-fluorocyclohexyl)-dihydroxy-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name(2-fluorocyclohexyl)-dihydroxy-methyl-oxo-λ6-sulfane
PubChem CID66796322
Molecular FormulaC7H15FO3S
Molecular Weight198.26 g/mol
Exact Mass198.07
IUPAC Name(2-fluorocyclohexyl)-dihydroxy-methyl-oxo-λ6-sulfane
SMILESCS(=O)(O)(O)C1CCCCC1F
InChIInChI=1S/C7H15FO3S/c1-12(9,10,11)7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3,(H2,9,10,11)
InChIKeyBTQARHPOURRIKB-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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Frequently Asked Questions

What is the IUPAC name of (2-fluorocyclohexyl)-dihydroxy-methyl-oxo-λ6-sulfane?
The IUPAC name of (2-fluorocyclohexyl)-dihydroxy-methyl-oxo-λ6-sulfane (CID 66796322) is (2-fluorocyclohexyl)-dihydroxy-methyl-oxo-λ6-sulfane.
What is the SMILES notation for (2-fluorocyclohexyl)-dihydroxy-methyl-oxo-λ6-sulfane?
The canonical SMILES for (2-fluorocyclohexyl)-dihydroxy-methyl-oxo-λ6-sulfane is CS(=O)(O)(O)C1CCCCC1F.
What is the InChIKey of (2-fluorocyclohexyl)-dihydroxy-methyl-oxo-λ6-sulfane?
The InChIKey is BTQARHPOURRIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FO3S/c1-12(9,10,11)7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3,(H2,9,10,11).
What are the key properties of (2-fluorocyclohexyl)-dihydroxy-methyl-oxo-λ6-sulfane?
(2-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 (2-fluorocyclohexyl)-dihydroxy-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 66796322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).