6-fluorohexanal

C6H11FO — CID 9769

IUPAC6-fluorohexanal
SMILESO=CCCCCCF
InChIInChI=1S/C6H11FO/c7-5-3-1-2-4-6-8/h6H,1-5H2
InChIKeyXCDORMVUFPWKBP-UHFFFAOYSA-N
MW118.15 g/mol
LogP1.72
Rot. Bonds5

About 6-fluorohexanal

6-fluorohexanal (PubChem CID 9769) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol. Its IUPAC name is 6-fluorohexanal.

Molecular Properties

Compound Name6-fluorohexanal
PubChem CID9769
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Name6-fluorohexanal
SMILESO=CCCCCCF
InChIInChI=1S/C6H11FO/c7-5-3-1-2-4-6-8/h6H,1-5H2
InChIKeyXCDORMVUFPWKBP-UHFFFAOYSA-N
XLogP1.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 51.72
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

Hexanal
CID 6184
Hexanedial
CID 70620
8-Fluorooctanal
CID 11629
Heptanal, 7-fluoro-
CID 12740
5-Fluoropentanal
CID 67704
Hexanal-D12
CID 71317235
5,5-Difluorohexanal
CID 54564000
4,4,5,5,6,6,6-Heptafluorohexanal
CID 86162789
1-Deuterohexanal
CID 12207194
Hexanal-d
CID 18652427
CID 53628786
CID 53628786
2-Fluoroheptanal
CID 13625567

Frequently Asked Questions

What is the IUPAC name of 6-fluorohexanal?
The IUPAC name of 6-fluorohexanal (CID 9769) is 6-fluorohexanal.
What is the SMILES notation for 6-fluorohexanal?
The canonical SMILES for 6-fluorohexanal is O=CCCCCCF.
What is the InChIKey of 6-fluorohexanal?
The InChIKey is XCDORMVUFPWKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO/c7-5-3-1-2-4-6-8/h6H,1-5H2.
What are the key properties of 6-fluorohexanal?
6-fluorohexanal has a molecular weight of 118.15 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorohexanal is sourced from PubChem (CID 9769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).