8-fluorooctanal

C8H15FO — CID 11629

IUPAC8-fluorooctanal
SMILESO=CCCCCCCCF
InChIInChI=1S/C8H15FO/c9-7-5-3-1-2-4-6-8-10/h8H,1-7H2
InChIKeyVGCYWSRWQVLEKL-UHFFFAOYSA-N
MW146.21 g/mol
LogP2.50
Rot. Bonds7

About 8-fluorooctanal

8-fluorooctanal (PubChem CID 11629) has the molecular formula C8H15FO and a molecular weight of 146.21 g/mol. Its IUPAC name is 8-fluorooctanal.

Molecular Properties

Compound Name8-fluorooctanal
PubChem CID11629
Molecular FormulaC8H15FO
Molecular Weight146.21 g/mol
Exact Mass146.11
IUPAC Name8-fluorooctanal
SMILESO=CCCCCCCCF
InChIInChI=1S/C8H15FO/c9-7-5-3-1-2-4-6-8-10/h8H,1-7H2
InChIKeyVGCYWSRWQVLEKL-UHFFFAOYSA-N
XLogP2.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 52.50
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

Nonanal
CID 31289
Decanal
CID 8175
Tetradecanal
CID 31291
Octanal
CID 454
Dodecanal
CID 8194
Undecanal
CID 8186
Pentadecanal
CID 17697
Tridecanal
CID 25311
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanal
CID 10719354
Dodecanedial
CID 5743459
Sebacaldehyde
CID 3016433
Hexanal, 6-fluoro-
CID 9769

Frequently Asked Questions

What is the IUPAC name of 8-fluorooctanal?
The IUPAC name of 8-fluorooctanal (CID 11629) is 8-fluorooctanal.
What is the SMILES notation for 8-fluorooctanal?
The canonical SMILES for 8-fluorooctanal is O=CCCCCCCCF.
What is the InChIKey of 8-fluorooctanal?
The InChIKey is VGCYWSRWQVLEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO/c9-7-5-3-1-2-4-6-8-10/h8H,1-7H2.
What are the key properties of 8-fluorooctanal?
8-fluorooctanal has a molecular weight of 146.21 g/mol, XLogP of 2.50, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluorooctanal is sourced from PubChem (CID 11629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).