decanedioyl difluoride

C10H16F2O2 — CID 11513974

IUPACdecanedioyl difluoride
SMILESO=C(F)CCCCCCCCC(=O)F
InChIInChI=1S/C10H16F2O2/c11-9(13)7-5-3-1-2-4-6-8-10(12)14/h1-8H2
InChIKeyXEYLDHRZAWRUBB-UHFFFAOYSA-N
MW206.23 g/mol
LogP3.10
Rot. Bonds9

About decanedioyl difluoride

decanedioyl difluoride (PubChem CID 11513974) has the molecular formula C10H16F2O2 and a molecular weight of 206.23 g/mol. Its IUPAC name is decanedioyl difluoride.

Molecular Properties

Compound Namedecanedioyl difluoride
PubChem CID11513974
Molecular FormulaC10H16F2O2
Molecular Weight206.23 g/mol
Exact Mass206.11
IUPAC Namedecanedioyl difluoride
SMILESO=C(F)CCCCCCCCC(=O)F
InChIInChI=1S/C10H16F2O2/c11-9(13)7-5-3-1-2-4-6-8-10(12)14/h1-8H2
InChIKeyXEYLDHRZAWRUBB-UHFFFAOYSA-N
XLogP3.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze decanedioyl difluoride 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

pentanedioyl difluoride
CID 13299233
3-aminopropanoyl fluoride
CID 141326128
triacontanedioic acid
CID 5322010
docosanediamide;hexacosanediamide
CID 129179979
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tridecanedioic acid;undecanedioic acid
CID 158333715
dodecanediamide;nonanediamide
CID 175017820
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
nonatetracontanediamide
CID 162734608

Frequently Asked Questions

What is the IUPAC name of decanedioyl difluoride?
The IUPAC name of decanedioyl difluoride (CID 11513974) is decanedioyl difluoride.
What is the SMILES notation for decanedioyl difluoride?
The canonical SMILES for decanedioyl difluoride is O=C(F)CCCCCCCCC(=O)F.
What is the InChIKey of decanedioyl difluoride?
The InChIKey is XEYLDHRZAWRUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O2/c11-9(13)7-5-3-1-2-4-6-8-10(12)14/h1-8H2.
What are the key properties of decanedioyl difluoride?
decanedioyl difluoride has a molecular weight of 206.23 g/mol, XLogP of 3.10, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decanedioyl difluoride is sourced from PubChem (CID 11513974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).