(1Z)-3-methyl-2-(methylideneamino)-1-N'-(2,2,2-trifluoroethyl)buta-1,3-diene-1,1-diamine

C8H12F3N3 — CID 145422882

IUPAC(1Z)-3-methyl-2-(methylideneamino)-1-N'-(2,2,2-trifluoroethyl)buta-1,3-diene-1,1-diamine
SMILESC=N/C(C(=C)C)=C(/N)NCC(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-5(2)6(13-3)7(12)14-4-8(9,10)11/h14H,1,3-4,12H2,2H3/b7-6-
InChIKeyIOGWQDWLPBPPQJ-SREVYHEPSA-N
MW207.20 g/mol
LogP1.54
Rot. Bonds4

About (1Z)-3-methyl-2-(methylideneamino)-1-N'-(2,2,2-trifluoroethyl)buta-1,3-diene-1,1-diamine

(1Z)-3-methyl-2-(methylideneamino)-1-N'-(2,2,2-trifluoroethyl)buta-1,3-diene-1,1-diamine (PubChem CID 145422882) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is (1Z)-3-methyl-2-(methylideneamino)-1-N'-(2,2,2-trifluoroethyl)buta-1,3-diene-1,1-diamine.

Molecular Properties

Compound Name(1Z)-3-methyl-2-(methylideneamino)-1-N'-(2,2,2-trifluoroethyl)buta-1,3-diene-1,1-diamine
PubChem CID145422882
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name(1Z)-3-methyl-2-(methylideneamino)-1-N'-(2,2,2-trifluoroethyl)buta-1,3-diene-1,1-diamine
SMILESC=N/C(C(=C)C)=C(/N)NCC(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-5(2)6(13-3)7(12)14-4-8(9,10)11/h14H,1,3-4,12H2,2H3/b7-6-
InChIKeyIOGWQDWLPBPPQJ-SREVYHEPSA-N
XLogP1.54
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-methylidene-1-(methylideneamino)-N-(3,3,3-trifluoropropyl)but-1-ene-1,4-diamine
CID 144980134
(1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine
CID 142501227
(1Z)-2-ethenyl-3-N-methyl-1-(methylideneamino)-1-N-(2,2,2-trifluoroethyl)buta-1,3-diene-1,3-diamine
CID 143436998

Frequently Asked Questions

What is the IUPAC name of (1Z)-3-methyl-2-(methylideneamino)-1-N'-(2,2,2-trifluoroethyl)buta-1,3-diene-1,1-diamine?
The IUPAC name of (1Z)-3-methyl-2-(methylideneamino)-1-N'-(2,2,2-trifluoroethyl)buta-1,3-diene-1,1-diamine (CID 145422882) is (1Z)-3-methyl-2-(methylideneamino)-1-N'-(2,2,2-trifluoroethyl)buta-1,3-diene-1,1-diamine.
What is the SMILES notation for (1Z)-3-methyl-2-(methylideneamino)-1-N'-(2,2,2-trifluoroethyl)buta-1,3-diene-1,1-diamine?
The canonical SMILES for (1Z)-3-methyl-2-(methylideneamino)-1-N'-(2,2,2-trifluoroethyl)buta-1,3-diene-1,1-diamine is C=N/C(C(=C)C)=C(/N)NCC(F)(F)F.
What is the InChIKey of (1Z)-3-methyl-2-(methylideneamino)-1-N'-(2,2,2-trifluoroethyl)buta-1,3-diene-1,1-diamine?
The InChIKey is IOGWQDWLPBPPQJ-SREVYHEPSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-5(2)6(13-3)7(12)14-4-8(9,10)11/h14H,1,3-4,12H2,2H3/b7-6-.
What are the key properties of (1Z)-3-methyl-2-(methylideneamino)-1-N'-(2,2,2-trifluoroethyl)buta-1,3-diene-1,1-diamine?
(1Z)-3-methyl-2-(methylideneamino)-1-N'-(2,2,2-trifluoroethyl)buta-1,3-diene-1,1-diamine has a molecular weight of 207.20 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-methyl-2-(methylideneamino)-1-N'-(2,2,2-trifluoroethyl)buta-1,3-diene-1,1-diamine is sourced from PubChem (CID 145422882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).