(3,3-difluorocyclobutyl)sulfamic acid

C4H7F2NO3S — CID 149280995

IUPAC(3,3-difluorocyclobutyl)sulfamic acid
SMILESO=S(=O)(O)NC1CC(F)(F)C1
InChIInChI=1S/C4H7F2NO3S/c5-4(6)1-3(2-4)7-11(8,9)10/h3,7H,1-2H2,(H,8,9,10)
InChIKeyXSYIQLVPNQESOQ-UHFFFAOYSA-N
MW187.17 g/mol
LogP0.18
Rot. Bonds2

About (3,3-difluorocyclobutyl)sulfamic acid

(3,3-difluorocyclobutyl)sulfamic acid (PubChem CID 149280995) has the molecular formula C4H7F2NO3S and a molecular weight of 187.17 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)sulfamic acid.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)sulfamic acid
PubChem CID149280995
Molecular FormulaC4H7F2NO3S
Molecular Weight187.17 g/mol
Exact Mass187.01
IUPAC Name(3,3-difluorocyclobutyl)sulfamic acid
SMILESO=S(=O)(O)NC1CC(F)(F)C1
InChIInChI=1S/C4H7F2NO3S/c5-4(6)1-3(2-4)7-11(8,9)10/h3,7H,1-2H2,(H,8,9,10)
InChIKeyXSYIQLVPNQESOQ-UHFFFAOYSA-N
XLogP0.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 50.18
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

1,1,1-Trifluoropropan-2-ylsulfamic acid
CID 17804129
(2,2-Difluorocyclobutyl)sulfamic acid
CID 148939328
lithium N-(3,3-difluorocyclobutyl)sulfamate
CID 156663409
lithium N-(2,2-difluorocyclobutyl)sulfamate
CID 156663453
4,4-Difluorobutylsulfamic acid
CID 175159593
4,4,4-Trifluorobutylsulfamic acid
CID 175160357
1-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutane-1,3-diamine
CID 114810347
N-(3,3-difluorocyclobutyl)sulfamoyl chloride
CID 119095874
N-(3,3-Difluorocyclobutyl)sulfamide
CID 131175192
Cyclobutylsulfamic acid
CID 21801549

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)sulfamic acid?
The IUPAC name of (3,3-difluorocyclobutyl)sulfamic acid (CID 149280995) is (3,3-difluorocyclobutyl)sulfamic acid.
What is the SMILES notation for (3,3-difluorocyclobutyl)sulfamic acid?
The canonical SMILES for (3,3-difluorocyclobutyl)sulfamic acid is O=S(=O)(O)NC1CC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclobutyl)sulfamic acid?
The InChIKey is XSYIQLVPNQESOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO3S/c5-4(6)1-3(2-4)7-11(8,9)10/h3,7H,1-2H2,(H,8,9,10).
What are the key properties of (3,3-difluorocyclobutyl)sulfamic acid?
(3,3-difluorocyclobutyl)sulfamic acid has a molecular weight of 187.17 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)sulfamic acid is sourced from PubChem (CID 149280995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).