S-[2,2-difluoropropyl(methyl)amino]thiohydroxylamine;ethane

C8H22F2N2S — CID 163275169

IUPACS-[2,2-difluoropropyl(methyl)amino]thiohydroxylamine;ethane
SMILESCC.CC.CN(CC(C)(F)F)SN
InChIInChI=1S/C4H10F2N2S.2C2H6/c1-4(5,6)3-8(2)9-7;2*1-2/h3,7H2,1-2H3;2*1-2H3
InChIKeySZOGXOQLVYEHSX-UHFFFAOYSA-N
MW216.34 g/mol
LogP3.15
Rot. Bonds3

About S-[2,2-difluoropropyl(methyl)amino]thiohydroxylamine;ethane

S-[2,2-difluoropropyl(methyl)amino]thiohydroxylamine;ethane (PubChem CID 163275169) has the molecular formula C8H22F2N2S and a molecular weight of 216.34 g/mol. Its IUPAC name is S-[2,2-difluoropropyl(methyl)amino]thiohydroxylamine;ethane.

Molecular Properties

Compound NameS-[2,2-difluoropropyl(methyl)amino]thiohydroxylamine;ethane
PubChem CID163275169
Molecular FormulaC8H22F2N2S
Molecular Weight216.34 g/mol
Exact Mass216.15
IUPAC NameS-[2,2-difluoropropyl(methyl)amino]thiohydroxylamine;ethane
SMILESCC.CC.CN(CC(C)(F)F)SN
InChIInChI=1S/C4H10F2N2S.2C2H6/c1-4(5,6)3-8(2)9-7;2*1-2/h3,7H2,1-2H3;2*1-2H3
InChIKeySZOGXOQLVYEHSX-UHFFFAOYSA-N
XLogP3.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,2-difluoropropyl)-N'-methylmethanediamine
CID 134422157
N'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine
CID 166136882
ethane;2-fluoro-2-methylpropan-1-amine
CID 166112006
N-(2,2-difluoropropyl)-N-methylazetidin-3-amine
CID 84651854
2,2-difluoropropane;ethane
CID 144524394
1-tert-butyl-N-(2,2-difluoropropyl)-N-methylpiperidin-4-amine
CID 118531508
2,2-difluoro-1-methylsulfanylpropane
CID 87799753
2,2,2-trifluoro-N,N-dimethylethanamine;hydrochloride
CID 87517073
2,2-dimethylpropane;ethane;2-fluoro-2-methylpropane
CID 142473666
N-methyl-N',N'-bis[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 140748013
2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62255881
ethane;2-fluoro-2-methylbutane
CID 143329956

Frequently Asked Questions

What is the IUPAC name of S-[2,2-difluoropropyl(methyl)amino]thiohydroxylamine;ethane?
The IUPAC name of S-[2,2-difluoropropyl(methyl)amino]thiohydroxylamine;ethane (CID 163275169) is S-[2,2-difluoropropyl(methyl)amino]thiohydroxylamine;ethane.
What is the SMILES notation for S-[2,2-difluoropropyl(methyl)amino]thiohydroxylamine;ethane?
The canonical SMILES for S-[2,2-difluoropropyl(methyl)amino]thiohydroxylamine;ethane is CC.CC.CN(CC(C)(F)F)SN.
What is the InChIKey of S-[2,2-difluoropropyl(methyl)amino]thiohydroxylamine;ethane?
The InChIKey is SZOGXOQLVYEHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10F2N2S.2C2H6/c1-4(5,6)3-8(2)9-7;2*1-2/h3,7H2,1-2H3;2*1-2H3.
What are the key properties of S-[2,2-difluoropropyl(methyl)amino]thiohydroxylamine;ethane?
S-[2,2-difluoropropyl(methyl)amino]thiohydroxylamine;ethane has a molecular weight of 216.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-[2,2-difluoropropyl(methyl)amino]thiohydroxylamine;ethane is sourced from PubChem (CID 163275169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).