methyl 2,2-difluorodecanoate

C11H20F2O2 — CID 22025599

IUPACmethyl 2,2-difluorodecanoate
SMILESCCCCCCCCC(F)(F)C(=O)OC
InChIInChI=1S/C11H20F2O2/c1-3-4-5-6-7-8-9-11(12,13)10(14)15-2/h3-9H2,1-2H3
InChIKeyQCSRAOHZTNLAMA-UHFFFAOYSA-N
MW222.27 g/mol
LogP3.55
Rot. Bonds8

About methyl 2,2-difluorodecanoate

methyl 2,2-difluorodecanoate (PubChem CID 22025599) has the molecular formula C11H20F2O2 and a molecular weight of 222.27 g/mol. Its IUPAC name is methyl 2,2-difluorodecanoate.

Molecular Properties

Compound Namemethyl 2,2-difluorodecanoate
PubChem CID22025599
Molecular FormulaC11H20F2O2
Molecular Weight222.27 g/mol
Exact Mass222.14
IUPAC Namemethyl 2,2-difluorodecanoate
SMILESCCCCCCCCC(F)(F)C(=O)OC
InChIInChI=1S/C11H20F2O2/c1-3-4-5-6-7-8-9-11(12,13)10(14)15-2/h3-9H2,1-2H3
InChIKeyQCSRAOHZTNLAMA-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 53.55
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 methyl 2,2-difluorodecanoate?
The IUPAC name of methyl 2,2-difluorodecanoate (CID 22025599) is methyl 2,2-difluorodecanoate.
What is the SMILES notation for methyl 2,2-difluorodecanoate?
The canonical SMILES for methyl 2,2-difluorodecanoate is CCCCCCCCC(F)(F)C(=O)OC.
What is the InChIKey of methyl 2,2-difluorodecanoate?
The InChIKey is QCSRAOHZTNLAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2O2/c1-3-4-5-6-7-8-9-11(12,13)10(14)15-2/h3-9H2,1-2H3.
What are the key properties of methyl 2,2-difluorodecanoate?
methyl 2,2-difluorodecanoate has a molecular weight of 222.27 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-difluorodecanoate is sourced from PubChem (CID 22025599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).