7-fluoroheptanal

C7H13FO — CID 12740

IUPAC7-fluoroheptanal
SMILESO=CCCCCCCF
InChIInChI=1S/C7H13FO/c8-6-4-2-1-3-5-7-9/h7H,1-6H2
InChIKeyZKAOXODYSBGNRK-UHFFFAOYSA-N
MW132.18 g/mol
LogP2.11
Rot. Bonds6

About 7-fluoroheptanal

7-fluoroheptanal (PubChem CID 12740) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is 7-fluoroheptanal.

Molecular Properties

Compound Name7-fluoroheptanal
PubChem CID12740
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name7-fluoroheptanal
SMILESO=CCCCCCCF
InChIInChI=1S/C7H13FO/c8-6-4-2-1-3-5-7-9/h7H,1-6H2
InChIKeyZKAOXODYSBGNRK-UHFFFAOYSA-N
XLogP2.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 52.11
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'}

Analyze 7-fluoroheptanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoroheptanal?
The IUPAC name of 7-fluoroheptanal (CID 12740) is 7-fluoroheptanal.
What is the SMILES notation for 7-fluoroheptanal?
The canonical SMILES for 7-fluoroheptanal is O=CCCCCCCF.
What is the InChIKey of 7-fluoroheptanal?
The InChIKey is ZKAOXODYSBGNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO/c8-6-4-2-1-3-5-7-9/h7H,1-6H2.
What are the key properties of 7-fluoroheptanal?
7-fluoroheptanal has a molecular weight of 132.18 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoroheptanal is sourced from PubChem (CID 12740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).