ethyl 2,2-difluorododecanoate

C14H26F2O2 — CID 11380059

IUPACethyl 2,2-difluorododecanoate
SMILESCCCCCCCCCCC(F)(F)C(=O)OCC
InChIInChI=1S/C14H26F2O2/c1-3-5-6-7-8-9-10-11-12-14(15,16)13(17)18-4-2/h3-12H2,1-2H3
InChIKeyBOGFKPNSGGDEIF-UHFFFAOYSA-N
MW264.36 g/mol
LogP4.72
Rot. Bonds11

About ethyl 2,2-difluorododecanoate

ethyl 2,2-difluorododecanoate (PubChem CID 11380059) has the molecular formula C14H26F2O2 and a molecular weight of 264.36 g/mol. Its IUPAC name is ethyl 2,2-difluorododecanoate.

Molecular Properties

Compound Nameethyl 2,2-difluorododecanoate
PubChem CID11380059
Molecular FormulaC14H26F2O2
Molecular Weight264.36 g/mol
Exact Mass264.19
IUPAC Nameethyl 2,2-difluorododecanoate
SMILESCCCCCCCCCCC(F)(F)C(=O)OCC
InChIInChI=1S/C14H26F2O2/c1-3-5-6-7-8-9-10-11-12-14(15,16)13(17)18-4-2/h3-12H2,1-2H3
InChIKeyBOGFKPNSGGDEIF-UHFFFAOYSA-N
XLogP4.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluorododecanoate?
The IUPAC name of ethyl 2,2-difluorododecanoate (CID 11380059) is ethyl 2,2-difluorododecanoate.
What is the SMILES notation for ethyl 2,2-difluorododecanoate?
The canonical SMILES for ethyl 2,2-difluorododecanoate is CCCCCCCCCCC(F)(F)C(=O)OCC.
What is the InChIKey of ethyl 2,2-difluorododecanoate?
The InChIKey is BOGFKPNSGGDEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2O2/c1-3-5-6-7-8-9-10-11-12-14(15,16)13(17)18-4-2/h3-12H2,1-2H3.
What are the key properties of ethyl 2,2-difluorododecanoate?
ethyl 2,2-difluorododecanoate has a molecular weight of 264.36 g/mol, XLogP of 4.72, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluorododecanoate is sourced from PubChem (CID 11380059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).