2-hydroxycyclohexane-1-sulfonyl fluoride

C6H11FO3S — CID 165459278

IUPAC2-hydroxycyclohexane-1-sulfonyl fluoride
SMILESO=S(=O)(F)C1CCCCC1O
InChIInChI=1S/C6H11FO3S/c7-11(9,10)6-4-2-1-3-5(6)8/h5-6,8H,1-4H2
InChIKeyXVUSHCRURIGHEO-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.59
Rot. Bonds1

About 2-hydroxycyclohexane-1-sulfonyl fluoride

2-hydroxycyclohexane-1-sulfonyl fluoride (PubChem CID 165459278) has the molecular formula C6H11FO3S and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-hydroxycyclohexane-1-sulfonyl fluoride.

Molecular Properties

Compound Name2-hydroxycyclohexane-1-sulfonyl fluoride
PubChem CID165459278
Molecular FormulaC6H11FO3S
Molecular Weight182.22 g/mol
Exact Mass182.04
IUPAC Name2-hydroxycyclohexane-1-sulfonyl fluoride
SMILESO=S(=O)(F)C1CCCCC1O
InChIInChI=1S/C6H11FO3S/c7-11(9,10)6-4-2-1-3-5(6)8/h5-6,8H,1-4H2
InChIKeyXVUSHCRURIGHEO-UHFFFAOYSA-N
XLogP0.59
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxycyclohexane-1-sulfonyl fluoride?
The IUPAC name of 2-hydroxycyclohexane-1-sulfonyl fluoride (CID 165459278) is 2-hydroxycyclohexane-1-sulfonyl fluoride.
What is the SMILES notation for 2-hydroxycyclohexane-1-sulfonyl fluoride?
The canonical SMILES for 2-hydroxycyclohexane-1-sulfonyl fluoride is O=S(=O)(F)C1CCCCC1O.
What is the InChIKey of 2-hydroxycyclohexane-1-sulfonyl fluoride?
The InChIKey is XVUSHCRURIGHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO3S/c7-11(9,10)6-4-2-1-3-5(6)8/h5-6,8H,1-4H2.
What are the key properties of 2-hydroxycyclohexane-1-sulfonyl fluoride?
2-hydroxycyclohexane-1-sulfonyl fluoride has a molecular weight of 182.22 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxycyclohexane-1-sulfonyl fluoride is sourced from PubChem (CID 165459278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).