(Z)-6,6,6-trifluoro-2-methyl-5-methyliminohex-3-enal

C8H10F3NO — CID 147332248

IUPAC(Z)-6,6,6-trifluoro-2-methyl-5-methyliminohex-3-enal
SMILESC/N=C(/C=C\C(C)C=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-6(5-13)3-4-7(12-2)8(9,10)11/h3-6H,1-2H3/b4-3-,12-7-
InChIKeyDBWMUMPPYLGRBI-DQXWCLFKSA-N
MW193.17 g/mol
LogP2.01
Rot. Bonds3

About (Z)-6,6,6-trifluoro-2-methyl-5-methyliminohex-3-enal

(Z)-6,6,6-trifluoro-2-methyl-5-methyliminohex-3-enal (PubChem CID 147332248) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is (Z)-6,6,6-trifluoro-2-methyl-5-methyliminohex-3-enal.

Molecular Properties

Compound Name(Z)-6,6,6-trifluoro-2-methyl-5-methyliminohex-3-enal
PubChem CID147332248
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name(Z)-6,6,6-trifluoro-2-methyl-5-methyliminohex-3-enal
SMILESC/N=C(/C=C\C(C)C=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-6(5-13)3-4-7(12-2)8(9,10)11/h3-6H,1-2H3/b4-3-,12-7-
InChIKeyDBWMUMPPYLGRBI-DQXWCLFKSA-N
XLogP2.01
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 ≤ 52.01
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

(E)-2-methylimino-3-(trifluoromethyl)hex-3-enal
CID 144806680
5-fluoro-3-methyl-3,4-dihydro-2H-azepine-7-carbaldehyde
CID 142818425
(3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dienal
CID 153396831
(E)-5,5-difluoro-2-methyl-4-methyliminohex-2-enal
CID 155718501
(Z)-2-methyliminopent-3-enal
CID 89534309
2-Ethyliminohex-3-enal
CID 91525888
(Z)-2-methyliminohex-3-enal
CID 143097523
(Z)-2-ethyliminohex-3-enal
CID 143817160
(Z)-4-methyl-2-methyliminohex-3-enal
CID 144315159

Frequently Asked Questions

What is the IUPAC name of (Z)-6,6,6-trifluoro-2-methyl-5-methyliminohex-3-enal?
The IUPAC name of (Z)-6,6,6-trifluoro-2-methyl-5-methyliminohex-3-enal (CID 147332248) is (Z)-6,6,6-trifluoro-2-methyl-5-methyliminohex-3-enal.
What is the SMILES notation for (Z)-6,6,6-trifluoro-2-methyl-5-methyliminohex-3-enal?
The canonical SMILES for (Z)-6,6,6-trifluoro-2-methyl-5-methyliminohex-3-enal is C/N=C(/C=C\C(C)C=O)C(F)(F)F.
What is the InChIKey of (Z)-6,6,6-trifluoro-2-methyl-5-methyliminohex-3-enal?
The InChIKey is DBWMUMPPYLGRBI-DQXWCLFKSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-6(5-13)3-4-7(12-2)8(9,10)11/h3-6H,1-2H3/b4-3-,12-7-.
What are the key properties of (Z)-6,6,6-trifluoro-2-methyl-5-methyliminohex-3-enal?
(Z)-6,6,6-trifluoro-2-methyl-5-methyliminohex-3-enal has a molecular weight of 193.17 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6,6,6-trifluoro-2-methyl-5-methyliminohex-3-enal is sourced from PubChem (CID 147332248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).