(6R)-6-fluorooct-7-enal

C8H13FO — CID 130623208

IUPAC(6R)-6-fluorooct-7-enal
SMILESC=C[C@H](F)CCCCC=O
InChIInChI=1S/C8H13FO/c1-2-8(9)6-4-3-5-7-10/h2,7-8H,1,3-6H2/t8-/m0/s1
InChIKeyGRZQOKXGRQXOIO-QMMMGPOBSA-N
MW144.19 g/mol
LogP2.27
Rot. Bonds6

About (6R)-6-fluorooct-7-enal

(6R)-6-fluorooct-7-enal (PubChem CID 130623208) has the molecular formula C8H13FO and a molecular weight of 144.19 g/mol. Its IUPAC name is (6R)-6-fluorooct-7-enal.

Molecular Properties

Compound Name(6R)-6-fluorooct-7-enal
PubChem CID130623208
Molecular FormulaC8H13FO
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name(6R)-6-fluorooct-7-enal
SMILESC=C[C@H](F)CCCCC=O
InChIInChI=1S/C8H13FO/c1-2-8(9)6-4-3-5-7-10/h2,7-8H,1,3-6H2/t8-/m0/s1
InChIKeyGRZQOKXGRQXOIO-QMMMGPOBSA-N
XLogP2.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 52.27
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-fluorooct-7-enal?
The IUPAC name of (6R)-6-fluorooct-7-enal (CID 130623208) is (6R)-6-fluorooct-7-enal.
What is the SMILES notation for (6R)-6-fluorooct-7-enal?
The canonical SMILES for (6R)-6-fluorooct-7-enal is C=C[C@H](F)CCCCC=O.
What is the InChIKey of (6R)-6-fluorooct-7-enal?
The InChIKey is GRZQOKXGRQXOIO-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H13FO/c1-2-8(9)6-4-3-5-7-10/h2,7-8H,1,3-6H2/t8-/m0/s1.
What are the key properties of (6R)-6-fluorooct-7-enal?
(6R)-6-fluorooct-7-enal has a molecular weight of 144.19 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-fluorooct-7-enal is sourced from PubChem (CID 130623208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).