ethyl 4,4-difluoro-6,6-dimethyloxane-2-carboxylate

C10H16F2O3 — CID 164536312

IUPACethyl 4,4-difluoro-6,6-dimethyloxane-2-carboxylate
SMILESCCOC(=O)C1CC(F)(F)CC(C)(C)O1
InChIInChI=1S/C10H16F2O3/c1-4-14-8(13)7-5-10(11,12)6-9(2,3)15-7/h7H,4-6H2,1-3H3
InChIKeyAIKPOPOKEXKQMF-UHFFFAOYSA-N
MW222.23 g/mol
LogP2.14
Rot. Bonds2

About ethyl 4,4-difluoro-6,6-dimethyloxane-2-carboxylate

ethyl 4,4-difluoro-6,6-dimethyloxane-2-carboxylate (PubChem CID 164536312) has the molecular formula C10H16F2O3 and a molecular weight of 222.23 g/mol. Its IUPAC name is ethyl 4,4-difluoro-6,6-dimethyloxane-2-carboxylate.

Molecular Properties

Compound Nameethyl 4,4-difluoro-6,6-dimethyloxane-2-carboxylate
PubChem CID164536312
Molecular FormulaC10H16F2O3
Molecular Weight222.23 g/mol
Exact Mass222.11
IUPAC Nameethyl 4,4-difluoro-6,6-dimethyloxane-2-carboxylate
SMILESCCOC(=O)C1CC(F)(F)CC(C)(C)O1
InChIInChI=1S/C10H16F2O3/c1-4-14-8(13)7-5-10(11,12)6-9(2,3)15-7/h7H,4-6H2,1-3H3
InChIKeyAIKPOPOKEXKQMF-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,4-difluoro-6,6-dimethyloxane-2-carboxylate?
The IUPAC name of ethyl 4,4-difluoro-6,6-dimethyloxane-2-carboxylate (CID 164536312) is ethyl 4,4-difluoro-6,6-dimethyloxane-2-carboxylate.
What is the SMILES notation for ethyl 4,4-difluoro-6,6-dimethyloxane-2-carboxylate?
The canonical SMILES for ethyl 4,4-difluoro-6,6-dimethyloxane-2-carboxylate is CCOC(=O)C1CC(F)(F)CC(C)(C)O1.
What is the InChIKey of ethyl 4,4-difluoro-6,6-dimethyloxane-2-carboxylate?
The InChIKey is AIKPOPOKEXKQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O3/c1-4-14-8(13)7-5-10(11,12)6-9(2,3)15-7/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 4,4-difluoro-6,6-dimethyloxane-2-carboxylate?
ethyl 4,4-difluoro-6,6-dimethyloxane-2-carboxylate has a molecular weight of 222.23 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,4-difluoro-6,6-dimethyloxane-2-carboxylate is sourced from PubChem (CID 164536312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).