(E)-2-N-methyl-4-N-methylidene-3-(trifluoromethyl)but-3-ene-2,4-diimine

C7H9F3N2 — CID 123356737

IUPAC(E)-2-N-methyl-4-N-methylidene-3-(trifluoromethyl)but-3-ene-2,4-diimine
SMILESC=N/C=C(C(\C)=N\C)/C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-5(12-3)6(4-11-2)7(8,9)10/h4H,2H2,1,3H3/b6-4+,12-5+
InChIKeyCWSUGALFHCELRZ-ZCGKFZJYSA-N
MW178.16 g/mol
LogP2.22
Rot. Bonds2

About (E)-2-N-methyl-4-N-methylidene-3-(trifluoromethyl)but-3-ene-2,4-diimine

(E)-2-N-methyl-4-N-methylidene-3-(trifluoromethyl)but-3-ene-2,4-diimine (PubChem CID 123356737) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is (E)-2-N-methyl-4-N-methylidene-3-(trifluoromethyl)but-3-ene-2,4-diimine.

Molecular Properties

Compound Name(E)-2-N-methyl-4-N-methylidene-3-(trifluoromethyl)but-3-ene-2,4-diimine
PubChem CID123356737
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name(E)-2-N-methyl-4-N-methylidene-3-(trifluoromethyl)but-3-ene-2,4-diimine
SMILESC=N/C=C(C(\C)=N\C)/C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-5(12-3)6(4-11-2)7(8,9)10/h4H,2H2,1,3H3/b6-4+,12-5+
InChIKeyCWSUGALFHCELRZ-ZCGKFZJYSA-N
XLogP2.22
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-fluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine
CID 123588566
(Z)-4-N-methylidene-2-N-(2,2,2-trifluoroethyl)but-3-ene-2,4-diimine
CID 130413505
N-[(E)-2-(trifluoromethyl)but-1-enyl]propan-2-imine
CID 143519473
N-ethenyl-3-(trifluoromethyl)but-3-en-2-imine
CID 144251791
N-ethenyl-1,1-difluoro-3-methylbut-3-en-2-imine
CID 156740840
(E)-3-N-methyl-1-N-methylidene-2-(trifluoromethyl)hex-1-en-4-yne-1,3-diimine
CID 169848937
4,4-Difluoro-2-methyl-3-methyliminobut-1-en-1-amine
CID 173963466
1,1,1-trifluoro-N-[(Z)-2-methylbut-1-enyl]propan-2-imine
CID 143508841
N-ethenyl-1,1,1-trifluoro-3-methylbut-3-en-2-imine
CID 144349642
(Z)-4,4,4-trifluoro-2-methyl-3-methyliminobut-1-en-1-amine
CID 155751639
4,4,4-Trifluoro-2-methyl-3-methyliminobut-1-en-1-amine
CID 159065807
2-N,3-dimethyl-4-N-methylidenebut-3-ene-2,4-diimine
CID 90919432

Frequently Asked Questions

What is the IUPAC name of (E)-2-N-methyl-4-N-methylidene-3-(trifluoromethyl)but-3-ene-2,4-diimine?
The IUPAC name of (E)-2-N-methyl-4-N-methylidene-3-(trifluoromethyl)but-3-ene-2,4-diimine (CID 123356737) is (E)-2-N-methyl-4-N-methylidene-3-(trifluoromethyl)but-3-ene-2,4-diimine.
What is the SMILES notation for (E)-2-N-methyl-4-N-methylidene-3-(trifluoromethyl)but-3-ene-2,4-diimine?
The canonical SMILES for (E)-2-N-methyl-4-N-methylidene-3-(trifluoromethyl)but-3-ene-2,4-diimine is C=N/C=C(C(\C)=N\C)/C(F)(F)F.
What is the InChIKey of (E)-2-N-methyl-4-N-methylidene-3-(trifluoromethyl)but-3-ene-2,4-diimine?
The InChIKey is CWSUGALFHCELRZ-ZCGKFZJYSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-5(12-3)6(4-11-2)7(8,9)10/h4H,2H2,1,3H3/b6-4+,12-5+.
What are the key properties of (E)-2-N-methyl-4-N-methylidene-3-(trifluoromethyl)but-3-ene-2,4-diimine?
(E)-2-N-methyl-4-N-methylidene-3-(trifluoromethyl)but-3-ene-2,4-diimine has a molecular weight of 178.16 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-N-methyl-4-N-methylidene-3-(trifluoromethyl)but-3-ene-2,4-diimine is sourced from PubChem (CID 123356737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).