(4Z,6E)-7-fluoro-3-methylidenehepta-4,6-dienal

C8H9FO — CID 88905355

IUPAC(4Z,6E)-7-fluoro-3-methylidenehepta-4,6-dienal
SMILESC=C(/C=C\C=C\F)CC=O
InChIInChI=1S/C8H9FO/c1-8(5-7-10)4-2-3-6-9/h2-4,6-7H,1,5H2/b4-2-,6-3+
InChIKeyYLQREZNRYOZPOG-MDNDHVJUSA-N
MW140.16 g/mol
LogP2.17
Rot. Bonds4

About (4Z,6E)-7-fluoro-3-methylidenehepta-4,6-dienal

(4Z,6E)-7-fluoro-3-methylidenehepta-4,6-dienal (PubChem CID 88905355) has the molecular formula C8H9FO and a molecular weight of 140.16 g/mol. Its IUPAC name is (4Z,6E)-7-fluoro-3-methylidenehepta-4,6-dienal.

Molecular Properties

Compound Name(4Z,6E)-7-fluoro-3-methylidenehepta-4,6-dienal
PubChem CID88905355
Molecular FormulaC8H9FO
Molecular Weight140.16 g/mol
Exact Mass140.06
IUPAC Name(4Z,6E)-7-fluoro-3-methylidenehepta-4,6-dienal
SMILESC=C(/C=C\C=C\F)CC=O
InChIInChI=1S/C8H9FO/c1-8(5-7-10)4-2-3-6-9/h2-4,6-7H,1,5H2/b4-2-,6-3+
InChIKeyYLQREZNRYOZPOG-MDNDHVJUSA-N
XLogP2.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4E)-hepta-4,6-dienal
CID 5283322
5,7-Octadienal
CID 5283330
Hepta-4,6-dienal
CID 71402896
3-Methyl-2-propan-2-ylidenehexa-3,5-dienal
CID 562478
2-Isopropylidene-3-methylhexa-3,5-dienal
CID 5368460
1,3,5-Cycloheptatriene-1-carboxaldehyde
CID 11051631
Cyclohepta-2,4,6-trienylacetaldehyde
CID 12474168
3,4-Dihydrophenylacetaldehyde
CID 18362480
2-Methyl-6-methylideneocta-3,7-dienal
CID 53683410
(4Z,6E,8E)-deca-4,6,8-trienal
CID 89804278
4E,6E-nonenal
CID 15870213
1,3-Difluorocyclohexa-2,4-diene-1-carbaldehyde
CID 18407279

Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-7-fluoro-3-methylidenehepta-4,6-dienal?
The IUPAC name of (4Z,6E)-7-fluoro-3-methylidenehepta-4,6-dienal (CID 88905355) is (4Z,6E)-7-fluoro-3-methylidenehepta-4,6-dienal.
What is the SMILES notation for (4Z,6E)-7-fluoro-3-methylidenehepta-4,6-dienal?
The canonical SMILES for (4Z,6E)-7-fluoro-3-methylidenehepta-4,6-dienal is C=C(/C=C\C=C\F)CC=O.
What is the InChIKey of (4Z,6E)-7-fluoro-3-methylidenehepta-4,6-dienal?
The InChIKey is YLQREZNRYOZPOG-MDNDHVJUSA-N. The full InChI is InChI=1S/C8H9FO/c1-8(5-7-10)4-2-3-6-9/h2-4,6-7H,1,5H2/b4-2-,6-3+.
What are the key properties of (4Z,6E)-7-fluoro-3-methylidenehepta-4,6-dienal?
(4Z,6E)-7-fluoro-3-methylidenehepta-4,6-dienal has a molecular weight of 140.16 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-7-fluoro-3-methylidenehepta-4,6-dienal is sourced from PubChem (CID 88905355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).