azane;fluoro decanoate;fluoro octanoate

C18H40F2N2O4 — CID 174327496

IUPACazane;fluoro decanoate;fluoro octanoate
SMILESCCCCCCCC(=O)OF.CCCCCCCCCC(=O)OF.N.N
InChIInChI=1S/C10H19FO2.C8H15FO2.2H3N/c1-2-3-4-5-6-7-8-9-10(12)13-11;1-2-3-4-5-6-7-8(10)11-9;;/h2-9H2,1H3;2-7H2,1H3;2*1H3
InChIKeyNEJJXKMETDLDPU-UHFFFAOYSA-N
MW386.52 g/mol
LogP6.65
Rot. Bonds14

About azane;fluoro decanoate;fluoro octanoate

azane;fluoro decanoate;fluoro octanoate (PubChem CID 174327496) has the molecular formula C18H40F2N2O4 and a molecular weight of 386.52 g/mol. Its IUPAC name is azane;fluoro decanoate;fluoro octanoate.

Molecular Properties

Compound Nameazane;fluoro decanoate;fluoro octanoate
PubChem CID174327496
Molecular FormulaC18H40F2N2O4
Molecular Weight386.52 g/mol
Exact Mass386.30
IUPAC Nameazane;fluoro decanoate;fluoro octanoate
SMILESCCCCCCCC(=O)OF.CCCCCCCCCC(=O)OF.N.N
InChIInChI=1S/C10H19FO2.C8H15FO2.2H3N/c1-2-3-4-5-6-7-8-9-10(12)13-11;1-2-3-4-5-6-7-8(10)11-9;;/h2-9H2,1H3;2-7H2,1H3;2*1H3
InChIKeyNEJJXKMETDLDPU-UHFFFAOYSA-N
XLogP6.65
TPSA122.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze azane;fluoro decanoate;fluoro octanoate 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

fluoro pentanoate;hydrochloride
CID 140774390
pentadecanoyl hexadecanoate
CID 87499774
henicosanoyl docosanoate
CID 175302110
heptadecanoyl heptadecaneperoxoate
CID 53438513
ditetradecanoyl hexanedioate
CID 175560209
heptanoyl octaneperoxoate
CID 142686679
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
octanoyl tridecaneperoxoate
CID 141014591
fluoro hexaneperoxoate
CID 172718987
dodecanoyl dodecanoate;sulfane
CID 174888621
methyl heptadecanoate
CID 15609

Frequently Asked Questions

What is the IUPAC name of azane;fluoro decanoate;fluoro octanoate?
The IUPAC name of azane;fluoro decanoate;fluoro octanoate (CID 174327496) is azane;fluoro decanoate;fluoro octanoate.
What is the SMILES notation for azane;fluoro decanoate;fluoro octanoate?
The canonical SMILES for azane;fluoro decanoate;fluoro octanoate is CCCCCCCC(=O)OF.CCCCCCCCCC(=O)OF.N.N.
What is the InChIKey of azane;fluoro decanoate;fluoro octanoate?
The InChIKey is NEJJXKMETDLDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO2.C8H15FO2.2H3N/c1-2-3-4-5-6-7-8-9-10(12)13-11;1-2-3-4-5-6-7-8(10)11-9;;/h2-9H2,1H3;2-7H2,1H3;2*1H3.
What are the key properties of azane;fluoro decanoate;fluoro octanoate?
azane;fluoro decanoate;fluoro octanoate has a molecular weight of 386.52 g/mol, XLogP of 6.65, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;fluoro decanoate;fluoro octanoate is sourced from PubChem (CID 174327496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).