N,N-diethyl-N'-(pentafluoro-lambda6-sulfanyl)ethanimidamide

C6H13F5N2S — CID 5365263

IUPACN,N-diethyl-N'-(pentafluoro-lambda6-sulfanyl)ethanimidamide
SMILESCCN(CC)/C(C)=N/S(F)(F)(F)(F)F
InChIInChI=1S/C6H13F5N2S/c1-4-13(5-2)6(3)12-14(7,8,9,10)11/h4-5H2,1-3H3/b12-6+
InChIKeyKQKXPPZVHRIKFW-WUXMJOGZSA-N
MW240.24 g/mol
LogP3.96
Rot. Bonds3

About N,N-diethyl-N'-(pentafluoro-lambda6-sulfanyl)ethanimidamide

N,N-diethyl-N'-(pentafluoro-lambda6-sulfanyl)ethanimidamide (PubChem CID 5365263) has the molecular formula C6H13F5N2S and a molecular weight of 240.24 g/mol. Its IUPAC name is N,N-diethyl-N'-(pentafluoro-lambda6-sulfanyl)ethanimidamide.

Molecular Properties

Compound NameN,N-diethyl-N'-(pentafluoro-lambda6-sulfanyl)ethanimidamide
PubChem CID5365263
Molecular FormulaC6H13F5N2S
Molecular Weight240.24 g/mol
Exact Mass240.07
IUPAC NameN,N-diethyl-N'-(pentafluoro-lambda6-sulfanyl)ethanimidamide
SMILESCCN(CC)/C(C)=N/S(F)(F)(F)(F)F
InChIInChI=1S/C6H13F5N2S/c1-4-13(5-2)6(3)12-14(7,8,9,10)11/h4-5H2,1-3H3/b12-6+
InChIKeyKQKXPPZVHRIKFW-WUXMJOGZSA-N
XLogP3.96
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-[ethoxy(fluoro)phosphoryl]-N,N-diethylethanimidamide
CID 139033607
1-N,1-N,1-N',1-N',2-N,2-N,2-N',2-N'-octaethylethene-1,1,2,2-tetramine
CID 101365533
N-ethyl-N,N'-bis(sulfanylmethyl)ethanimidamide
CID 164812846
N,N-diethyl-2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetamide
CID 102129744
N-ethyl-2-methyl-N-(2-methylprop-2-enyl)propanamide
CID 60660134
nickel;bis(1-N,1-N,2-N,2-N-tetraethyl-1-N',2-N'-dihydroxyethanediimidamide)
CID 135534845
bis(diethylcarbamoyl)mercury
CID 12633853
acetic acid;N,N-diethylacetamide
CID 174447974
N,N'-diethyl-N-(ethylsulfanylmethyl)ethanimidamide
CID 123463688
N,N-diethyl-4,4,4-trifluoro-3-methylbut-2-enamide
CID 2752549
N-ethyl-N-(2-methoxyethyl)-N'-methylethanimidamide
CID 144955256
N-ethyl-N-propylacetamide;methane;propane
CID 161155898

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-N'-(pentafluoro-lambda6-sulfanyl)ethanimidamide?
The IUPAC name of N,N-diethyl-N'-(pentafluoro-lambda6-sulfanyl)ethanimidamide (CID 5365263) is N,N-diethyl-N'-(pentafluoro-lambda6-sulfanyl)ethanimidamide.
What is the SMILES notation for N,N-diethyl-N'-(pentafluoro-lambda6-sulfanyl)ethanimidamide?
The canonical SMILES for N,N-diethyl-N'-(pentafluoro-lambda6-sulfanyl)ethanimidamide is CCN(CC)/C(C)=N/S(F)(F)(F)(F)F.
What is the InChIKey of N,N-diethyl-N'-(pentafluoro-lambda6-sulfanyl)ethanimidamide?
The InChIKey is KQKXPPZVHRIKFW-WUXMJOGZSA-N. The full InChI is InChI=1S/C6H13F5N2S/c1-4-13(5-2)6(3)12-14(7,8,9,10)11/h4-5H2,1-3H3/b12-6+.
What are the key properties of N,N-diethyl-N'-(pentafluoro-lambda6-sulfanyl)ethanimidamide?
N,N-diethyl-N'-(pentafluoro-lambda6-sulfanyl)ethanimidamide has a molecular weight of 240.24 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N'-(pentafluoro-lambda6-sulfanyl)ethanimidamide is sourced from PubChem (CID 5365263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).