5-fluorohept-5-enal

C7H11FO — CID 152742286

IUPAC5-fluorohept-5-enal
SMILESCC=C(F)CCCC=O
InChIInChI=1S/C7H11FO/c1-2-7(8)5-3-4-6-9/h2,6H,3-5H2,1H3
InChIKeyZZWAQYMVSVJWCR-UHFFFAOYSA-N
MW130.16 g/mol
LogP2.23
Rot. Bonds4

About 5-fluorohept-5-enal

5-fluorohept-5-enal (PubChem CID 152742286) has the molecular formula C7H11FO and a molecular weight of 130.16 g/mol. Its IUPAC name is 5-fluorohept-5-enal.

Molecular Properties

Compound Name5-fluorohept-5-enal
PubChem CID152742286
Molecular FormulaC7H11FO
Molecular Weight130.16 g/mol
Exact Mass130.08
IUPAC Name5-fluorohept-5-enal
SMILESCC=C(F)CCCC=O
InChIInChI=1S/C7H11FO/c1-2-7(8)5-3-4-6-9/h2,6H,3-5H2,1H3
InChIKeyZZWAQYMVSVJWCR-UHFFFAOYSA-N
XLogP2.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.16
LogP ≤ 52.23
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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Frequently Asked Questions

What is the IUPAC name of 5-fluorohept-5-enal?
The IUPAC name of 5-fluorohept-5-enal (CID 152742286) is 5-fluorohept-5-enal.
What is the SMILES notation for 5-fluorohept-5-enal?
The canonical SMILES for 5-fluorohept-5-enal is CC=C(F)CCCC=O.
What is the InChIKey of 5-fluorohept-5-enal?
The InChIKey is ZZWAQYMVSVJWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO/c1-2-7(8)5-3-4-6-9/h2,6H,3-5H2,1H3.
What are the key properties of 5-fluorohept-5-enal?
5-fluorohept-5-enal has a molecular weight of 130.16 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorohept-5-enal is sourced from PubChem (CID 152742286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).