(2-fluorocyclohexyl)methanesulfonic acid

C7H13FO3S — CID 87155584

IUPAC(2-fluorocyclohexyl)methanesulfonic acid
SMILESO=S(=O)(O)CC1CCCCC1F
InChIInChI=1S/C7H13FO3S/c8-7-4-2-1-3-6(7)5-12(9,10)11/h6-7H,1-5H2,(H,9,10,11)
InChIKeyPIDRUBUAUAVGLP-UHFFFAOYSA-N
MW196.24 g/mol
LogP1.40
Rot. Bonds2

About (2-fluorocyclohexyl)methanesulfonic acid

(2-fluorocyclohexyl)methanesulfonic acid (PubChem CID 87155584) has the molecular formula C7H13FO3S and a molecular weight of 196.24 g/mol. Its IUPAC name is (2-fluorocyclohexyl)methanesulfonic acid.

Molecular Properties

Compound Name(2-fluorocyclohexyl)methanesulfonic acid
PubChem CID87155584
Molecular FormulaC7H13FO3S
Molecular Weight196.24 g/mol
Exact Mass196.06
IUPAC Name(2-fluorocyclohexyl)methanesulfonic acid
SMILESO=S(=O)(O)CC1CCCCC1F
InChIInChI=1S/C7H13FO3S/c8-7-4-2-1-3-6(7)5-12(9,10)11/h6-7H,1-5H2,(H,9,10,11)
InChIKeyPIDRUBUAUAVGLP-UHFFFAOYSA-N
XLogP1.40
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze (2-fluorocyclohexyl)methanesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-fluorocyclohexyl)methanesulfonyl chloride
CID 84734884
cyclopentylmethanesulfonic acid;hydrochloride
CID 174643777
(2-methylcyclopentyl)methanesulfonic acid
CID 19042340
4-[(2-fluorocyclohexyl)methyl]benzenesulfonic acid
CID 87156208
1-(2-fluorocyclohexyl)propan-2-ol
CID 89165840
(4,4-difluorocyclohexyl)methanesulfonic acid
CID 154021800
3-(2-fluorocyclohexyl)-2-methylpropanoic acid
CID 84732893
trans-(1S,2R)-1-ethyl-2-fluoro-4-[[(2S)-2-fluorocyclohexyl]methyl]cyclohexane
CID 170210300
1-fluoro-2-(2-fluorocyclohexyl)sulfonylcyclohexane
CID 66796028
(4,4-dimethylcyclohexyl)methanesulfonic acid
CID 131183489
(2,4,5-trimethylcyclohexyl)methanesulfonic acid
CID 135296236
cycloheptylmethanesulfonyl fluoride
CID 115019897

Frequently Asked Questions

What is the IUPAC name of (2-fluorocyclohexyl)methanesulfonic acid?
The IUPAC name of (2-fluorocyclohexyl)methanesulfonic acid (CID 87155584) is (2-fluorocyclohexyl)methanesulfonic acid.
What is the SMILES notation for (2-fluorocyclohexyl)methanesulfonic acid?
The canonical SMILES for (2-fluorocyclohexyl)methanesulfonic acid is O=S(=O)(O)CC1CCCCC1F.
What is the InChIKey of (2-fluorocyclohexyl)methanesulfonic acid?
The InChIKey is PIDRUBUAUAVGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO3S/c8-7-4-2-1-3-6(7)5-12(9,10)11/h6-7H,1-5H2,(H,9,10,11).
What are the key properties of (2-fluorocyclohexyl)methanesulfonic acid?
(2-fluorocyclohexyl)methanesulfonic acid has a molecular weight of 196.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorocyclohexyl)methanesulfonic acid is sourced from PubChem (CID 87155584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).