6-fluorohex-5-enal

C6H9FO — CID 71325480

IUPAC6-fluorohex-5-enal
SMILESO=CCCCC=CF
InChIInChI=1S/C6H9FO/c7-5-3-1-2-4-6-8/h3,5-6H,1-2,4H2
InChIKeyVOSCRHJWSDXFLO-UHFFFAOYSA-N
MW116.13 g/mol
LogP1.84
Rot. Bonds4

About 6-fluorohex-5-enal

6-fluorohex-5-enal (PubChem CID 71325480) has the molecular formula C6H9FO and a molecular weight of 116.13 g/mol. Its IUPAC name is 6-fluorohex-5-enal.

Molecular Properties

Compound Name6-fluorohex-5-enal
PubChem CID71325480
Molecular FormulaC6H9FO
Molecular Weight116.13 g/mol
Exact Mass116.06
IUPAC Name6-fluorohex-5-enal
SMILESO=CCCCC=CF
InChIInChI=1S/C6H9FO/c7-5-3-1-2-4-6-8/h3,5-6H,1-2,4H2
InChIKeyVOSCRHJWSDXFLO-UHFFFAOYSA-N
XLogP1.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.13
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Pentenal
CID 16418
5-Hexenal
CID 69817
6-Heptenal
CID 5283320
4-Methylene-5-hexenal
CID 548982
(6R)-6-fluorooct-7-enal
CID 130623208
Allylproponal
CID 19994379
2,2-Difluoropent-4-enal
CID 23566279
6,6-Difluorohex-5-enal
CID 85674209
2-Fluoro-2-prop-2-enylpent-4-enal
CID 142907651
5-Fluorohept-5-enal
CID 152742286
3-Ethenyl-3-fluoropent-4-enal
CID 168961586
Hepta-5,6-dienal
CID 10080355

Frequently Asked Questions

What is the IUPAC name of 6-fluorohex-5-enal?
The IUPAC name of 6-fluorohex-5-enal (CID 71325480) is 6-fluorohex-5-enal.
What is the SMILES notation for 6-fluorohex-5-enal?
The canonical SMILES for 6-fluorohex-5-enal is O=CCCCC=CF.
What is the InChIKey of 6-fluorohex-5-enal?
The InChIKey is VOSCRHJWSDXFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO/c7-5-3-1-2-4-6-8/h3,5-6H,1-2,4H2.
What are the key properties of 6-fluorohex-5-enal?
6-fluorohex-5-enal has a molecular weight of 116.13 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorohex-5-enal is sourced from PubChem (CID 71325480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).