N-[(3,3-difluorocyclobutyl)methyl]thiohydroxylamine

C5H9F2NS — CID 123810572

IUPACN-[(3,3-difluorocyclobutyl)methyl]thiohydroxylamine
SMILESFC1(F)CC(CNS)C1
InChIInChI=1S/C5H9F2NS/c6-5(7)1-4(2-5)3-8-9/h4,8-9H,1-3H2
InChIKeyRAZZPJVNKVGSOE-UHFFFAOYSA-N
MW153.20 g/mol
LogP1.47
Rot. Bonds2

About N-[(3,3-difluorocyclobutyl)methyl]thiohydroxylamine

N-[(3,3-difluorocyclobutyl)methyl]thiohydroxylamine (PubChem CID 123810572) has the molecular formula C5H9F2NS and a molecular weight of 153.20 g/mol. Its IUPAC name is N-[(3,3-difluorocyclobutyl)methyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[(3,3-difluorocyclobutyl)methyl]thiohydroxylamine
PubChem CID123810572
Molecular FormulaC5H9F2NS
Molecular Weight153.20 g/mol
Exact Mass153.04
IUPAC NameN-[(3,3-difluorocyclobutyl)methyl]thiohydroxylamine
SMILESFC1(F)CC(CNS)C1
InChIInChI=1S/C5H9F2NS/c6-5(7)1-4(2-5)3-8-9/h4,8-9H,1-3H2
InChIKeyRAZZPJVNKVGSOE-UHFFFAOYSA-N
XLogP1.47
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]thiohydroxylamine?
The IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]thiohydroxylamine (CID 123810572) is N-[(3,3-difluorocyclobutyl)methyl]thiohydroxylamine.
What is the SMILES notation for N-[(3,3-difluorocyclobutyl)methyl]thiohydroxylamine?
The canonical SMILES for N-[(3,3-difluorocyclobutyl)methyl]thiohydroxylamine is FC1(F)CC(CNS)C1.
What is the InChIKey of N-[(3,3-difluorocyclobutyl)methyl]thiohydroxylamine?
The InChIKey is RAZZPJVNKVGSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NS/c6-5(7)1-4(2-5)3-8-9/h4,8-9H,1-3H2.
What are the key properties of N-[(3,3-difluorocyclobutyl)methyl]thiohydroxylamine?
N-[(3,3-difluorocyclobutyl)methyl]thiohydroxylamine has a molecular weight of 153.20 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclobutyl)methyl]thiohydroxylamine is sourced from PubChem (CID 123810572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).