(2,2-difluorocyclohexyl)sulfamic acid

C6H11F2NO3S — CID 162505234

IUPAC(2,2-difluorocyclohexyl)sulfamic acid
SMILESO=S(=O)(O)NC1CCCCC1(F)F
InChIInChI=1S/C6H11F2NO3S/c7-6(8)4-2-1-3-5(6)9-13(10,11)12/h5,9H,1-4H2,(H,10,11,12)
InChIKeyRZKBMKWXTXIMMZ-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.96
Rot. Bonds2

About (2,2-difluorocyclohexyl)sulfamic acid

(2,2-difluorocyclohexyl)sulfamic acid (PubChem CID 162505234) has the molecular formula C6H11F2NO3S and a molecular weight of 215.22 g/mol. Its IUPAC name is (2,2-difluorocyclohexyl)sulfamic acid.

Molecular Properties

Compound Name(2,2-difluorocyclohexyl)sulfamic acid
PubChem CID162505234
Molecular FormulaC6H11F2NO3S
Molecular Weight215.22 g/mol
Exact Mass215.04
IUPAC Name(2,2-difluorocyclohexyl)sulfamic acid
SMILESO=S(=O)(O)NC1CCCCC1(F)F
InChIInChI=1S/C6H11F2NO3S/c7-6(8)4-2-1-3-5(6)9-13(10,11)12/h5,9H,1-4H2,(H,10,11,12)
InChIKeyRZKBMKWXTXIMMZ-UHFFFAOYSA-N
XLogP0.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluorocyclohexyl)sulfamic acid?
The IUPAC name of (2,2-difluorocyclohexyl)sulfamic acid (CID 162505234) is (2,2-difluorocyclohexyl)sulfamic acid.
What is the SMILES notation for (2,2-difluorocyclohexyl)sulfamic acid?
The canonical SMILES for (2,2-difluorocyclohexyl)sulfamic acid is O=S(=O)(O)NC1CCCCC1(F)F.
What is the InChIKey of (2,2-difluorocyclohexyl)sulfamic acid?
The InChIKey is RZKBMKWXTXIMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO3S/c7-6(8)4-2-1-3-5(6)9-13(10,11)12/h5,9H,1-4H2,(H,10,11,12).
What are the key properties of (2,2-difluorocyclohexyl)sulfamic acid?
(2,2-difluorocyclohexyl)sulfamic acid has a molecular weight of 215.22 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclohexyl)sulfamic acid is sourced from PubChem (CID 162505234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).