(E)-2-methylimino-3-(trifluoromethyl)hex-3-enal

C8H10F3NO — CID 144806680

IUPAC(E)-2-methylimino-3-(trifluoromethyl)hex-3-enal
SMILESCC/C=C(C(\C=O)=N\C)/C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-3-4-6(8(9,10)11)7(5-13)12-2/h4-5H,3H2,1-2H3/b6-4+,12-7+
InChIKeyFEGGMRLSASXTPP-SQXULCKUSA-N
MW193.17 g/mol
LogP2.15
Rot. Bonds3

About (E)-2-methylimino-3-(trifluoromethyl)hex-3-enal

(E)-2-methylimino-3-(trifluoromethyl)hex-3-enal (PubChem CID 144806680) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is (E)-2-methylimino-3-(trifluoromethyl)hex-3-enal.

Molecular Properties

Compound Name(E)-2-methylimino-3-(trifluoromethyl)hex-3-enal
PubChem CID144806680
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name(E)-2-methylimino-3-(trifluoromethyl)hex-3-enal
SMILESCC/C=C(C(\C=O)=N\C)/C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-3-4-6(8(9,10)11)7(5-13)12-2/h4-5H,3H2,1-2H3/b6-4+,12-7+
InChIKeyFEGGMRLSASXTPP-SQXULCKUSA-N
XLogP2.15
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.15
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'}

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Related Compounds

ethane;6-(trifluoromethyl)-4H-azepine-7-carbaldehyde
CID 142991390
(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)-2-[N-methyl-C-(trifluoromethyl)carbonimidoyl]but-2-enal
CID 144210147
(E)-2-[N-propan-2-yl-C-(trifluoromethyl)carbonimidoyl]but-2-enal
CID 144379115
(3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dienal
CID 153396831
(E)-5,5-difluoro-2-methyl-4-methyliminohex-2-enal
CID 155718501
(E)-3-methyl-5-methyliminohex-3-enal
CID 143978930
(Z)-4-methyl-2-methyliminohex-3-enal
CID 144315159

Frequently Asked Questions

What is the IUPAC name of (E)-2-methylimino-3-(trifluoromethyl)hex-3-enal?
The IUPAC name of (E)-2-methylimino-3-(trifluoromethyl)hex-3-enal (CID 144806680) is (E)-2-methylimino-3-(trifluoromethyl)hex-3-enal.
What is the SMILES notation for (E)-2-methylimino-3-(trifluoromethyl)hex-3-enal?
The canonical SMILES for (E)-2-methylimino-3-(trifluoromethyl)hex-3-enal is CC/C=C(C(\C=O)=N\C)/C(F)(F)F.
What is the InChIKey of (E)-2-methylimino-3-(trifluoromethyl)hex-3-enal?
The InChIKey is FEGGMRLSASXTPP-SQXULCKUSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-3-4-6(8(9,10)11)7(5-13)12-2/h4-5H,3H2,1-2H3/b6-4+,12-7+.
What are the key properties of (E)-2-methylimino-3-(trifluoromethyl)hex-3-enal?
(E)-2-methylimino-3-(trifluoromethyl)hex-3-enal has a molecular weight of 193.17 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methylimino-3-(trifluoromethyl)hex-3-enal is sourced from PubChem (CID 144806680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).