(4,4-difluorocyclohexyl)sulfamic acid

C6H11F2NO3S — CID 158860873

IUPAC(4,4-difluorocyclohexyl)sulfamic acid
SMILESO=S(=O)(O)NC1CCC(F)(F)CC1
InChIInChI=1S/C6H11F2NO3S/c7-6(8)3-1-5(2-4-6)9-13(10,11)12/h5,9H,1-4H2,(H,10,11,12)
InChIKeySIOPSZVQTCSPHT-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.96
Rot. Bonds2

About (4,4-difluorocyclohexyl)sulfamic acid

(4,4-difluorocyclohexyl)sulfamic acid (PubChem CID 158860873) has the molecular formula C6H11F2NO3S and a molecular weight of 215.22 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)sulfamic acid.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)sulfamic acid
PubChem CID158860873
Molecular FormulaC6H11F2NO3S
Molecular Weight215.22 g/mol
Exact Mass215.04
IUPAC Name(4,4-difluorocyclohexyl)sulfamic acid
SMILESO=S(=O)(O)NC1CCC(F)(F)CC1
InChIInChI=1S/C6H11F2NO3S/c7-6(8)3-1-5(2-4-6)9-13(10,11)12/h5,9H,1-4H2,(H,10,11,12)
InChIKeySIOPSZVQTCSPHT-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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Related Compounds

Cyclamate
CID 7533
N-Cyclohexyltrifluoromethanesulfonamide
CID 14965464
Cyclamate magnesium dihydrate
CID 24438
Aminocyclohexylsulfonic acid, sodium salt
CID 24185711
Barium(2+);cyclohexylsulfamic acid
CID 54605044
CID 68761393
CID 68761393
(2,2,3,3,4,4,5,5,6,6-Decafluorocyclohexyl)sulfamic acid
CID 87415618
Cyclohexylsulfamoyl(difluoro)methanesulfonic acid
CID 90005418
(3,3-Difluorocyclopentyl)sulfamic acid
CID 146839726
(2,2-Difluorocyclopentyl)sulfamic acid
CID 156663485
Cyclohexanamine;trifluoromethanesulfonic acid
CID 160893093
lithium N-(2,2-difluorocyclohexyl)sulfamate
CID 162505233

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)sulfamic acid?
The IUPAC name of (4,4-difluorocyclohexyl)sulfamic acid (CID 158860873) is (4,4-difluorocyclohexyl)sulfamic acid.
What is the SMILES notation for (4,4-difluorocyclohexyl)sulfamic acid?
The canonical SMILES for (4,4-difluorocyclohexyl)sulfamic acid is O=S(=O)(O)NC1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)sulfamic acid?
The InChIKey is SIOPSZVQTCSPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO3S/c7-6(8)3-1-5(2-4-6)9-13(10,11)12/h5,9H,1-4H2,(H,10,11,12).
What are the key properties of (4,4-difluorocyclohexyl)sulfamic acid?
(4,4-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 (4,4-difluorocyclohexyl)sulfamic acid is sourced from PubChem (CID 158860873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).