(2E)-2-(C,N-dimethylcarbonimidoyl)-4-fluoropenta-2,4-dienal

C8H10FNO — CID 143720354

IUPAC(2E)-2-(C,N-dimethylcarbonimidoyl)-4-fluoropenta-2,4-dienal
SMILESC=C(F)/C=C(C=O)\C(C)=N\C
InChIInChI=1S/C8H10FNO/c1-6(9)4-8(5-11)7(2)10-3/h4-5H,1H2,2-3H3/b8-4-,10-7+
InChIKeyDDEOLCFKEHCDSL-WULZKXQJSA-N
MW155.17 g/mol
LogP1.69
Rot. Bonds3

About (2E)-2-(C,N-dimethylcarbonimidoyl)-4-fluoropenta-2,4-dienal

(2E)-2-(C,N-dimethylcarbonimidoyl)-4-fluoropenta-2,4-dienal (PubChem CID 143720354) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is (2E)-2-(C,N-dimethylcarbonimidoyl)-4-fluoropenta-2,4-dienal.

Molecular Properties

Compound Name(2E)-2-(C,N-dimethylcarbonimidoyl)-4-fluoropenta-2,4-dienal
PubChem CID143720354
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name(2E)-2-(C,N-dimethylcarbonimidoyl)-4-fluoropenta-2,4-dienal
SMILESC=C(F)/C=C(C=O)\C(C)=N\C
InChIInChI=1S/C8H10FNO/c1-6(9)4-8(5-11)7(2)10-3/h4-5H,1H2,2-3H3/b8-4-,10-7+
InChIKeyDDEOLCFKEHCDSL-WULZKXQJSA-N
XLogP1.69
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.69
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': 'Michael_acceptor_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
(2E,4E,6E)-3-ethyl-7-formyl-N,4-dimethylnona-2,4,6,8-tetraenimidoyl fluoride
CID 167162444
(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
(2E,4E)-2-ethanimidoyl-4-fluorohexa-2,4-dienal
CID 168203233
6-Propa-1,2-dienyl-2,3-dihydropyridine-5-carbaldehyde
CID 89268689
3-(4-Ethyliminocyclohexa-1,5-dien-1-yl)prop-2-enal
CID 91243948
(E)-2-ethyl-4-methyliminopent-2-enal
CID 123712641
(E)-2-(N-ethyl-C-methylcarbonimidoyl)pent-2-enal
CID 134504091
(5Z)-6-methylimino-5-propylidenecyclohexa-1,3-diene-1-carbaldehyde
CID 142071750

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(C,N-dimethylcarbonimidoyl)-4-fluoropenta-2,4-dienal?
The IUPAC name of (2E)-2-(C,N-dimethylcarbonimidoyl)-4-fluoropenta-2,4-dienal (CID 143720354) is (2E)-2-(C,N-dimethylcarbonimidoyl)-4-fluoropenta-2,4-dienal.
What is the SMILES notation for (2E)-2-(C,N-dimethylcarbonimidoyl)-4-fluoropenta-2,4-dienal?
The canonical SMILES for (2E)-2-(C,N-dimethylcarbonimidoyl)-4-fluoropenta-2,4-dienal is C=C(F)/C=C(C=O)\C(C)=N\C.
What is the InChIKey of (2E)-2-(C,N-dimethylcarbonimidoyl)-4-fluoropenta-2,4-dienal?
The InChIKey is DDEOLCFKEHCDSL-WULZKXQJSA-N. The full InChI is InChI=1S/C8H10FNO/c1-6(9)4-8(5-11)7(2)10-3/h4-5H,1H2,2-3H3/b8-4-,10-7+.
What are the key properties of (2E)-2-(C,N-dimethylcarbonimidoyl)-4-fluoropenta-2,4-dienal?
(2E)-2-(C,N-dimethylcarbonimidoyl)-4-fluoropenta-2,4-dienal has a molecular weight of 155.17 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(C,N-dimethylcarbonimidoyl)-4-fluoropenta-2,4-dienal is sourced from PubChem (CID 143720354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).