2-fluoro-4-methylsulfonylcyclohexan-1-ol

C7H13FO3S — CID 91067853

IUPAC2-fluoro-4-methylsulfonylcyclohexan-1-ol
SMILESCS(=O)(=O)C1CCC(O)C(F)C1
InChIInChI=1S/C7H13FO3S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h5-7,9H,2-4H2,1H3
InChIKeyUUHOEOZKKCLKBU-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.28
Rot. Bonds1

About 2-fluoro-4-methylsulfonylcyclohexan-1-ol

2-fluoro-4-methylsulfonylcyclohexan-1-ol (PubChem CID 91067853) has the molecular formula C7H13FO3S and a molecular weight of 196.24 g/mol. Its IUPAC name is 2-fluoro-4-methylsulfonylcyclohexan-1-ol.

Molecular Properties

Compound Name2-fluoro-4-methylsulfonylcyclohexan-1-ol
PubChem CID91067853
Molecular FormulaC7H13FO3S
Molecular Weight196.24 g/mol
Exact Mass196.06
IUPAC Name2-fluoro-4-methylsulfonylcyclohexan-1-ol
SMILESCS(=O)(=O)C1CCC(O)C(F)C1
InChIInChI=1S/C7H13FO3S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h5-7,9H,2-4H2,1H3
InChIKeyUUHOEOZKKCLKBU-UHFFFAOYSA-N
XLogP0.28
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Methylsulfonyl)cyclohexanol
CID 40152067
3-Methanesulfonylcyclohexan-1-ol
CID 64717588
3-Methanesulfinylcyclohexan-1-ol
CID 132342169
2-Fluoro-4-hydroxycyclohexane-1-sulfonate
CID 145853700
cis-(1S,2R)-2-methylsulfonylcyclohexan-1-ol
CID 13859915
3-(Fluoromethylsulfonyl)cyclohexan-1-ol
CID 84720754
4-(Fluoromethylsulfonyl)cyclohexan-1-ol
CID 84720755
1-(1,1-Dioxothiolan-2-yl)-1-fluoropropan-2-ol
CID 105449910
6,6,6-Trifluoro-1-methylsulfonylhexan-2-ol
CID 115828398
2-Fluoro-4-hydroxycyclohexane-1-sulfonic acid
CID 145853701
2-Methanesulfonylcyclohexan-1-ol
CID 13859914
4-Pentylsulfonylcyclohexan-1-ol
CID 59281732

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methylsulfonylcyclohexan-1-ol?
The IUPAC name of 2-fluoro-4-methylsulfonylcyclohexan-1-ol (CID 91067853) is 2-fluoro-4-methylsulfonylcyclohexan-1-ol.
What is the SMILES notation for 2-fluoro-4-methylsulfonylcyclohexan-1-ol?
The canonical SMILES for 2-fluoro-4-methylsulfonylcyclohexan-1-ol is CS(=O)(=O)C1CCC(O)C(F)C1.
What is the InChIKey of 2-fluoro-4-methylsulfonylcyclohexan-1-ol?
The InChIKey is UUHOEOZKKCLKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO3S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h5-7,9H,2-4H2,1H3.
What are the key properties of 2-fluoro-4-methylsulfonylcyclohexan-1-ol?
2-fluoro-4-methylsulfonylcyclohexan-1-ol has a molecular weight of 196.24 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methylsulfonylcyclohexan-1-ol is sourced from PubChem (CID 91067853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).