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

C7H13F3N2S — CID 170369355

IUPAC(Z)-N'-ethyl-N,N-dimethyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine
SMILESCCN(/C=C\N(C)C)SC(F)(F)F
InChIInChI=1S/C7H13F3N2S/c1-4-12(6-5-11(2)3)13-7(8,9)10/h5-6H,4H2,1-3H3/b6-5-
InChIKeyZWKLMLIXQODWKR-WAYWQWQTSA-N
MW214.26 g/mol
LogP2.51
Rot. Bonds4

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

(Z)-N'-ethyl-N,N-dimethyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine (PubChem CID 170369355) has the molecular formula C7H13F3N2S and a molecular weight of 214.26 g/mol. Its IUPAC name is (Z)-N'-ethyl-N,N-dimethyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-N'-ethyl-N,N-dimethyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine
PubChem CID170369355
Molecular FormulaC7H13F3N2S
Molecular Weight214.26 g/mol
Exact Mass214.08
IUPAC Name(Z)-N'-ethyl-N,N-dimethyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine
SMILESCCN(/C=C\N(C)C)SC(F)(F)F
InChIInChI=1S/C7H13F3N2S/c1-4-12(6-5-11(2)3)13-7(8,9)10/h5-6H,4H2,1-3H3/b6-5-
InChIKeyZWKLMLIXQODWKR-WAYWQWQTSA-N
XLogP2.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.51
H-Bond Donors ≤ 50
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,N-bis(trifluoromethyl)ethenamine;1-fluoro-N-(fluoromethyl)-N-methylmethanamine
CID 159470670
N-ethenyl-1,1-difluoro-N-methylethanamine
CID 160900448
(Z)-N'-ethyl-N-methyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine
CID 170369254
N-ethenyl-2,2,2-trifluoro-N-methylethanamine
CID 157733076

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-ethyl-N,N-dimethyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine?
The IUPAC name of (Z)-N'-ethyl-N,N-dimethyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine (CID 170369355) is (Z)-N'-ethyl-N,N-dimethyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine.
What is the SMILES notation for (Z)-N'-ethyl-N,N-dimethyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine?
The canonical SMILES for (Z)-N'-ethyl-N,N-dimethyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine is CCN(/C=C\N(C)C)SC(F)(F)F.
What is the InChIKey of (Z)-N'-ethyl-N,N-dimethyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine?
The InChIKey is ZWKLMLIXQODWKR-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H13F3N2S/c1-4-12(6-5-11(2)3)13-7(8,9)10/h5-6H,4H2,1-3H3/b6-5-.
What are the key properties of (Z)-N'-ethyl-N,N-dimethyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine?
(Z)-N'-ethyl-N,N-dimethyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine has a molecular weight of 214.26 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-ethyl-N,N-dimethyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine is sourced from PubChem (CID 170369355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).