12,12,13,13,13-pentafluorotridecanal

C13H21F5O — CID 14675646

IUPAC12,12,13,13,13-pentafluorotridecanal
SMILESO=CCCCCCCCCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C13H21F5O/c14-12(15,13(16,17)18)10-8-6-4-2-1-3-5-7-9-11-19/h11H,1-10H2
InChIKeyPMEKJUFRZLBAPD-UHFFFAOYSA-N
MW288.30 g/mol
LogP5.28
Rot. Bonds11

About 12,12,13,13,13-pentafluorotridecanal

12,12,13,13,13-pentafluorotridecanal (PubChem CID 14675646) has the molecular formula C13H21F5O and a molecular weight of 288.30 g/mol. Its IUPAC name is 12,12,13,13,13-pentafluorotridecanal.

Molecular Properties

Compound Name12,12,13,13,13-pentafluorotridecanal
PubChem CID14675646
Molecular FormulaC13H21F5O
Molecular Weight288.30 g/mol
Exact Mass288.15
IUPAC Name12,12,13,13,13-pentafluorotridecanal
SMILESO=CCCCCCCCCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C13H21F5O/c14-12(15,13(16,17)18)10-8-6-4-2-1-3-5-7-9-11-19/h11H,1-10H2
InChIKeyPMEKJUFRZLBAPD-UHFFFAOYSA-N
XLogP5.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.30
LogP ≤ 55.28
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': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 12,12,13,13,13-pentafluorotridecanal?
The IUPAC name of 12,12,13,13,13-pentafluorotridecanal (CID 14675646) is 12,12,13,13,13-pentafluorotridecanal.
What is the SMILES notation for 12,12,13,13,13-pentafluorotridecanal?
The canonical SMILES for 12,12,13,13,13-pentafluorotridecanal is O=CCCCCCCCCCCC(F)(F)C(F)(F)F.
What is the InChIKey of 12,12,13,13,13-pentafluorotridecanal?
The InChIKey is PMEKJUFRZLBAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F5O/c14-12(15,13(16,17)18)10-8-6-4-2-1-3-5-7-9-11-19/h11H,1-10H2.
What are the key properties of 12,12,13,13,13-pentafluorotridecanal?
12,12,13,13,13-pentafluorotridecanal has a molecular weight of 288.30 g/mol, XLogP of 5.28, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12,13,13,13-pentafluorotridecanal is sourced from PubChem (CID 14675646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).