(3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dienal

C8H8F3NO — CID 153396831

IUPAC(3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dienal
SMILESC=C/C(=C\C(C=O)=N\C)C(F)(F)F
InChIInChI=1S/C8H8F3NO/c1-3-6(8(9,10)11)4-7(5-13)12-2/h3-5H,1H2,2H3/b6-4+,12-7-
InChIKeyFAZYXLFWGUBBBR-SVXSPUGDSA-N
MW191.15 g/mol
LogP1.93
Rot. Bonds3

About (3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dienal

(3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dienal (PubChem CID 153396831) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is (3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dienal.

Molecular Properties

Compound Name(3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dienal
PubChem CID153396831
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name(3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dienal
SMILESC=C/C(=C\C(C=O)=N\C)C(F)(F)F
InChIInChI=1S/C8H8F3NO/c1-3-6(8(9,10)11)4-7(5-13)12-2/h3-5H,1H2,2H3/b6-4+,12-7-
InChIKeyFAZYXLFWGUBBBR-SVXSPUGDSA-N
XLogP1.93
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-methylimino-3-(trifluoromethyl)hex-3-enal
CID 144806680
(Z)-6,6,6-trifluoro-2-methyl-5-methyliminohex-3-enal
CID 147332248
(2E)-2-(C,N-dimethylcarbonimidoyl)-4-fluoropenta-2,4-dienal
CID 143720354
(E)-5,5-difluoro-2-methyl-4-methyliminohex-2-enal
CID 155718501
4-fluoro-2H-azepine-7-carbaldehyde;methane
CID 143189919
(E)-2-ethenyl-3-methyl-4-methyliminopent-2-enal
CID 163681613
(3Z,5E)-5-ethylidene-8-methyl-6-methyliminonona-3,7-dienal
CID 142857928
(3Z)-2-ethyliminohexa-3,5-dienal
CID 143141318
(Z)-4-methyl-2-methyliminohex-3-enal
CID 144315159
(3Z)-4-methyl-2-propyliminohexa-3,5-dienal
CID 171811389

Frequently Asked Questions

What is the IUPAC name of (3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dienal?
The IUPAC name of (3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dienal (CID 153396831) is (3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dienal.
What is the SMILES notation for (3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dienal?
The canonical SMILES for (3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dienal is C=C/C(=C\C(C=O)=N\C)C(F)(F)F.
What is the InChIKey of (3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dienal?
The InChIKey is FAZYXLFWGUBBBR-SVXSPUGDSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-3-6(8(9,10)11)4-7(5-13)12-2/h3-5H,1H2,2H3/b6-4+,12-7-.
What are the key properties of (3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dienal?
(3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dienal has a molecular weight of 191.15 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dienal is sourced from PubChem (CID 153396831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).