6,10-difluoropentadecan-8-one

C15H28F2O — CID 57256733

IUPAC6,10-difluoropentadecan-8-one
SMILESCCCCCC(F)CC(=O)CC(F)CCCCC
InChIInChI=1S/C15H28F2O/c1-3-5-7-9-13(16)11-15(18)12-14(17)10-8-6-4-2/h13-14H,3-12H2,1-2H3
InChIKeyTXZKOGDOFRTIRU-UHFFFAOYSA-N
MW262.38 g/mol
LogP5.17
Rot. Bonds12

About 6,10-difluoropentadecan-8-one

6,10-difluoropentadecan-8-one (PubChem CID 57256733) has the molecular formula C15H28F2O and a molecular weight of 262.38 g/mol. Its IUPAC name is 6,10-difluoropentadecan-8-one.

Molecular Properties

Compound Name6,10-difluoropentadecan-8-one
PubChem CID57256733
Molecular FormulaC15H28F2O
Molecular Weight262.38 g/mol
Exact Mass262.21
IUPAC Name6,10-difluoropentadecan-8-one
SMILESCCCCCC(F)CC(=O)CC(F)CCCCC
InChIInChI=1S/C15H28F2O/c1-3-5-7-9-13(16)11-15(18)12-14(17)10-8-6-4-2/h13-14H,3-12H2,1-2H3
InChIKeyTXZKOGDOFRTIRU-UHFFFAOYSA-N
XLogP5.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.38
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2,2-dimethyldecan-3-one
CID 22934364
methyl 3-fluorononanoate
CID 57115724
6,10-dimethylpentadecan-8-one
CID 150688801
4-fluorononane
CID 15062450
2-fluoroundecan-1-ol
CID 15918974
2-fluorotridecan-1-ol
CID 54139332
(2R)-2-fluorodecan-1-ol
CID 54309655
2-fluorononan-1-ol
CID 15918975
calcium bis(4-fluorononanoate)
CID 101279306
2-fluoroheptyl acetate
CID 24973893
(4R)-4-fluorodecane
CID 88903478
21-fluorotriacontan-11-ol
CID 173436816

Frequently Asked Questions

What is the IUPAC name of 6,10-difluoropentadecan-8-one?
The IUPAC name of 6,10-difluoropentadecan-8-one (CID 57256733) is 6,10-difluoropentadecan-8-one.
What is the SMILES notation for 6,10-difluoropentadecan-8-one?
The canonical SMILES for 6,10-difluoropentadecan-8-one is CCCCCC(F)CC(=O)CC(F)CCCCC.
What is the InChIKey of 6,10-difluoropentadecan-8-one?
The InChIKey is TXZKOGDOFRTIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2O/c1-3-5-7-9-13(16)11-15(18)12-14(17)10-8-6-4-2/h13-14H,3-12H2,1-2H3.
What are the key properties of 6,10-difluoropentadecan-8-one?
6,10-difluoropentadecan-8-one has a molecular weight of 262.38 g/mol, XLogP of 5.17, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-difluoropentadecan-8-one is sourced from PubChem (CID 57256733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).