(Z)-N'-ethyl-N-methyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine

C6H11F3N2S — CID 170369254

IUPAC(Z)-N'-ethyl-N-methyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine
SMILESCCN(/C=C\NC)SC(F)(F)F
InChIInChI=1S/C6H11F3N2S/c1-3-11(5-4-10-2)12-6(7,8)9/h4-5,10H,3H2,1-2H3/b5-4-
InChIKeyZGICKPBZCPPNQQ-PLNGDYQASA-N
MW200.23 g/mol
LogP2.17
Rot. Bonds4

About (Z)-N'-ethyl-N-methyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine

(Z)-N'-ethyl-N-methyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine (PubChem CID 170369254) has the molecular formula C6H11F3N2S and a molecular weight of 200.23 g/mol. Its IUPAC name is (Z)-N'-ethyl-N-methyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-N'-ethyl-N-methyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine
PubChem CID170369254
Molecular FormulaC6H11F3N2S
Molecular Weight200.23 g/mol
Exact Mass200.06
IUPAC Name(Z)-N'-ethyl-N-methyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine
SMILESCCN(/C=C\NC)SC(F)(F)F
InChIInChI=1S/C6H11F3N2S/c1-3-11(5-4-10-2)12-6(7,8)9/h4-5,10H,3H2,1-2H3/b5-4-
InChIKeyZGICKPBZCPPNQQ-PLNGDYQASA-N
XLogP2.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.17
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

(E)-N'-(2,2-difluoroethyl)ethene-1,2-diamine
CID 145229980
(Z)-N'-ethyl-N,N-dimethyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine
CID 170369355

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-ethyl-N-methyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine?
The IUPAC name of (Z)-N'-ethyl-N-methyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine (CID 170369254) is (Z)-N'-ethyl-N-methyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine.
What is the SMILES notation for (Z)-N'-ethyl-N-methyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine?
The canonical SMILES for (Z)-N'-ethyl-N-methyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine is CCN(/C=C\NC)SC(F)(F)F.
What is the InChIKey of (Z)-N'-ethyl-N-methyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine?
The InChIKey is ZGICKPBZCPPNQQ-PLNGDYQASA-N. The full InChI is InChI=1S/C6H11F3N2S/c1-3-11(5-4-10-2)12-6(7,8)9/h4-5,10H,3H2,1-2H3/b5-4-.
What are the key properties of (Z)-N'-ethyl-N-methyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine?
(Z)-N'-ethyl-N-methyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine has a molecular weight of 200.23 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-ethyl-N-methyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine is sourced from PubChem (CID 170369254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).