5-amino-2-fluorocyclohexane-1-sulfonic acid

C6H12FNO3S — CID 91006839

IUPAC5-amino-2-fluorocyclohexane-1-sulfonic acid
SMILESNC1CCC(F)C(S(=O)(=O)O)C1
InChIInChI=1S/C6H12FNO3S/c7-5-2-1-4(8)3-6(5)12(9,10)11/h4-6H,1-3,8H2,(H,9,10,11)
InChIKeyFHTWIVZELXEICP-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.09
Rot. Bonds1

About 5-amino-2-fluorocyclohexane-1-sulfonic acid

5-amino-2-fluorocyclohexane-1-sulfonic acid (PubChem CID 91006839) has the molecular formula C6H12FNO3S and a molecular weight of 197.23 g/mol. Its IUPAC name is 5-amino-2-fluorocyclohexane-1-sulfonic acid.

Molecular Properties

Compound Name5-amino-2-fluorocyclohexane-1-sulfonic acid
PubChem CID91006839
Molecular FormulaC6H12FNO3S
Molecular Weight197.23 g/mol
Exact Mass197.05
IUPAC Name5-amino-2-fluorocyclohexane-1-sulfonic acid
SMILESNC1CCC(F)C(S(=O)(=O)O)C1
InChIInChI=1S/C6H12FNO3S/c7-5-2-1-4(8)3-6(5)12(9,10)11/h4-6H,1-3,8H2,(H,9,10,11)
InChIKeyFHTWIVZELXEICP-UHFFFAOYSA-N
XLogP0.09
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Aminocyclohexanesulfonic acid
CID 152154
Trans-2-aminocyclohexanesulfonic acid
CID 15881493
cis-2-Aminocyclohexanesulfonic acid
CID 54105826
2-Aminohexanesulfonic acid
CID 11041341
(S,s)-2-aminocyclohexylsulfonic acid
CID 12970178
2-Azaniumylcyclohexane-1-sulfonate
CID 134992994
N-cyclohexyl-3-fluoropropane-1-sulfonamide
CID 129397177
3-(Fluoromethylsulfonyl)cyclohexan-1-amine
CID 84720542
(1s,4s)-4-Aminocyclohexane-1-sulfonyl fluoride
CID 167733164
5-Amino-2-sulfanyl-cyclohexanesulfonic acid
CID 487862
4-Aminocyclohexane-1-sulfonic acid
CID 12850599
Cyclohexanamine;propane-1-sulfonic acid
CID 17878675

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluorocyclohexane-1-sulfonic acid?
The IUPAC name of 5-amino-2-fluorocyclohexane-1-sulfonic acid (CID 91006839) is 5-amino-2-fluorocyclohexane-1-sulfonic acid.
What is the SMILES notation for 5-amino-2-fluorocyclohexane-1-sulfonic acid?
The canonical SMILES for 5-amino-2-fluorocyclohexane-1-sulfonic acid is NC1CCC(F)C(S(=O)(=O)O)C1.
What is the InChIKey of 5-amino-2-fluorocyclohexane-1-sulfonic acid?
The InChIKey is FHTWIVZELXEICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO3S/c7-5-2-1-4(8)3-6(5)12(9,10)11/h4-6H,1-3,8H2,(H,9,10,11).
What are the key properties of 5-amino-2-fluorocyclohexane-1-sulfonic acid?
5-amino-2-fluorocyclohexane-1-sulfonic acid has a molecular weight of 197.23 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluorocyclohexane-1-sulfonic acid is sourced from PubChem (CID 91006839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).