N-(3,3-difluorocyclobutyl)-N-methylthiohydroxylamine

C5H9F2NS — CID 123880824

IUPACN-(3,3-difluorocyclobutyl)-N-methylthiohydroxylamine
SMILESCN(S)C1CC(F)(F)C1
InChIInChI=1S/C5H9F2NS/c1-8(9)4-2-5(6,7)3-4/h4,9H,2-3H2,1H3
InChIKeyGQFJWQNWAPOUFG-UHFFFAOYSA-N
MW153.20 g/mol
LogP1.56
Rot. Bonds1

About N-(3,3-difluorocyclobutyl)-N-methylthiohydroxylamine

N-(3,3-difluorocyclobutyl)-N-methylthiohydroxylamine (PubChem CID 123880824) has the molecular formula C5H9F2NS and a molecular weight of 153.20 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-N-methylthiohydroxylamine.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-N-methylthiohydroxylamine
PubChem CID123880824
Molecular FormulaC5H9F2NS
Molecular Weight153.20 g/mol
Exact Mass153.04
IUPAC NameN-(3,3-difluorocyclobutyl)-N-methylthiohydroxylamine
SMILESCN(S)C1CC(F)(F)C1
InChIInChI=1S/C5H9F2NS/c1-8(9)4-2-5(6,7)3-4/h4,9H,2-3H2,1H3
InChIKeyGQFJWQNWAPOUFG-UHFFFAOYSA-N
XLogP1.56
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
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)-N-methylthiohydroxylamine?
The IUPAC name of N-(3,3-difluorocyclobutyl)-N-methylthiohydroxylamine (CID 123880824) is N-(3,3-difluorocyclobutyl)-N-methylthiohydroxylamine.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-N-methylthiohydroxylamine?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-N-methylthiohydroxylamine is CN(S)C1CC(F)(F)C1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-N-methylthiohydroxylamine?
The InChIKey is GQFJWQNWAPOUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NS/c1-8(9)4-2-5(6,7)3-4/h4,9H,2-3H2,1H3.
What are the key properties of N-(3,3-difluorocyclobutyl)-N-methylthiohydroxylamine?
N-(3,3-difluorocyclobutyl)-N-methylthiohydroxylamine has a molecular weight of 153.20 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-N-methylthiohydroxylamine is sourced from PubChem (CID 123880824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).