2-fluorododecanoyl 2-fluorododecaneperoxoate

C24H44F2O4 — CID 175410514

IUPAC2-fluorododecanoyl 2-fluorododecaneperoxoate
SMILESCCCCCCCCCCC(F)C(=O)OOC(=O)C(F)CCCCCCCCCC
InChIInChI=1S/C24H44F2O4/c1-3-5-7-9-11-13-15-17-19-21(25)23(27)29-30-24(28)22(26)20-18-16-14-12-10-8-6-4-2/h21-22H,3-20H2,1-2H3
InChIKeyQDUYIKKGCPDAHE-UHFFFAOYSA-N
MW434.61 g/mol
LogP7.73
Rot. Bonds20

About 2-fluorododecanoyl 2-fluorododecaneperoxoate

2-fluorododecanoyl 2-fluorododecaneperoxoate (PubChem CID 175410514) has the molecular formula C24H44F2O4 and a molecular weight of 434.61 g/mol. Its IUPAC name is 2-fluorododecanoyl 2-fluorododecaneperoxoate.

Molecular Properties

Compound Name2-fluorododecanoyl 2-fluorododecaneperoxoate
PubChem CID175410514
Molecular FormulaC24H44F2O4
Molecular Weight434.61 g/mol
Exact Mass434.32
IUPAC Name2-fluorododecanoyl 2-fluorododecaneperoxoate
SMILESCCCCCCCCCCC(F)C(=O)OOC(=O)C(F)CCCCCCCCCC
InChIInChI=1S/C24H44F2O4/c1-3-5-7-9-11-13-15-17-19-21(25)23(27)29-30-24(28)22(26)20-18-16-14-12-10-8-6-4-2/h21-22H,3-20H2,1-2H3
InChIKeyQDUYIKKGCPDAHE-UHFFFAOYSA-N
XLogP7.73
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.61
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2-fluorododecanoyl 2-fluorododecaneperoxoate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-fluorododecanoate
CID 86171800
methyl (2R)-2-fluorodecanoate
CID 11333185
ethyl (2R)-2-fluoroheptanoate
CID 102068873
2-fluoroundecanoic acid
CID 24976101
2-methyloctanoyl 2-methyloctaneperoxoate
CID 71367675
[4-[4-[(2R)-2-fluorooctanoyl]oxycyclohexyl]cyclohexyl] (2R)-2-fluorooctanoate
CID 56616838
fluoro 2-fluorohexanoate;hydrochloride
CID 174751179
dioctadecyl 2-heptadecylpropanedioate
CID 146623140
octacosyl 2-hydroxyoctadecanoate
CID 152554946
decyl 2-hexylpentadecanoate
CID 175318740
octadecyl 2-hydroxydocosanoate
CID 22753830
tridecyl 2-hexadecylicosanoate
CID 159510432

Frequently Asked Questions

What is the IUPAC name of 2-fluorododecanoyl 2-fluorododecaneperoxoate?
The IUPAC name of 2-fluorododecanoyl 2-fluorododecaneperoxoate (CID 175410514) is 2-fluorododecanoyl 2-fluorododecaneperoxoate.
What is the SMILES notation for 2-fluorododecanoyl 2-fluorododecaneperoxoate?
The canonical SMILES for 2-fluorododecanoyl 2-fluorododecaneperoxoate is CCCCCCCCCCC(F)C(=O)OOC(=O)C(F)CCCCCCCCCC.
What is the InChIKey of 2-fluorododecanoyl 2-fluorododecaneperoxoate?
The InChIKey is QDUYIKKGCPDAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44F2O4/c1-3-5-7-9-11-13-15-17-19-21(25)23(27)29-30-24(28)22(26)20-18-16-14-12-10-8-6-4-2/h21-22H,3-20H2,1-2H3.
What are the key properties of 2-fluorododecanoyl 2-fluorododecaneperoxoate?
2-fluorododecanoyl 2-fluorododecaneperoxoate has a molecular weight of 434.61 g/mol, XLogP of 7.73, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorododecanoyl 2-fluorododecaneperoxoate is sourced from PubChem (CID 175410514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).