2,2,3,3-tetrafluoropropyl N'-methylcarbamimidothioate

C5H8F4N2S — CID 71758763

IUPAC2,2,3,3-tetrafluoropropyl N'-methylcarbamimidothioate
SMILESC/N=C(\N)SCC(F)(F)C(F)F
InChIInChI=1S/C5H8F4N2S/c1-11-4(10)12-2-5(8,9)3(6)7/h3H,2H2,1H3,(H2,10,11)
InChIKeyVORGWKSKUCKBEF-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.56
Rot. Bonds3

About 2,2,3,3-tetrafluoropropyl N'-methylcarbamimidothioate

2,2,3,3-tetrafluoropropyl N'-methylcarbamimidothioate (PubChem CID 71758763) has the molecular formula C5H8F4N2S and a molecular weight of 204.19 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropyl N'-methylcarbamimidothioate.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropyl N'-methylcarbamimidothioate
PubChem CID71758763
Molecular FormulaC5H8F4N2S
Molecular Weight204.19 g/mol
Exact Mass204.03
IUPAC Name2,2,3,3-tetrafluoropropyl N'-methylcarbamimidothioate
SMILESC/N=C(\N)SCC(F)(F)C(F)F
InChIInChI=1S/C5H8F4N2S/c1-11-4(10)12-2-5(8,9)3(6)7/h3H,2H2,1H3,(H2,10,11)
InChIKeyVORGWKSKUCKBEF-UHFFFAOYSA-N
XLogP1.56
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoroethyl N'-methylcarbamimidothioate
CID 71755519
2,2,2-trifluoroethyl N'-ethylcarbamimidothioate
CID 134202268
3,3,3-trifluoropropyl N'-(3,3,3-trifluoropropyl)carbamimidothioate
CID 144053586
1-fluoroethyl N'-methylcarbamimidothioate
CID 146267644
1,2,2-trifluoroethyl N'-methylcarbamimidothioate
CID 174268970
[Amino(4,4,4-trifluorobutylsulfanyl)methylidene]-dimethylazanium bromide
CID 134110619
[Amino(4,4,4-trifluorobutylsulfanyl)methylidene]-dimethylazanium
CID 134110620
3,4,4-trifluorobut-3-enyl N'-methylcarbamimidothioate
CID 134117355
3-fluoropropyl N'-methylcarbamimidothioate
CID 144464924
propyl N'-methylcarbamimidothioate
CID 87944667
3,4,4-trifluorobut-3-enyl N'-methylcarbamimidothioate;hydrobromide
CID 134117354
butyl N'-methylcarbamimidothioate
CID 151229815

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoropropyl N'-methylcarbamimidothioate?
The IUPAC name of 2,2,3,3-tetrafluoropropyl N'-methylcarbamimidothioate (CID 71758763) is 2,2,3,3-tetrafluoropropyl N'-methylcarbamimidothioate.
What is the SMILES notation for 2,2,3,3-tetrafluoropropyl N'-methylcarbamimidothioate?
The canonical SMILES for 2,2,3,3-tetrafluoropropyl N'-methylcarbamimidothioate is C/N=C(\N)SCC(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoropropyl N'-methylcarbamimidothioate?
The InChIKey is VORGWKSKUCKBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F4N2S/c1-11-4(10)12-2-5(8,9)3(6)7/h3H,2H2,1H3,(H2,10,11).
What are the key properties of 2,2,3,3-tetrafluoropropyl N'-methylcarbamimidothioate?
2,2,3,3-tetrafluoropropyl N'-methylcarbamimidothioate has a molecular weight of 204.19 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoropropyl N'-methylcarbamimidothioate is sourced from PubChem (CID 71758763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).