ethyl 3-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate

C14H22F2O4 — CID 158525319

IUPACethyl 3-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)C1CCC2(CC1)OCC(CC(C)(F)F)O2
InChIInChI=1S/C14H22F2O4/c1-3-18-12(17)10-4-6-14(7-5-10)19-9-11(20-14)8-13(2,15)16/h10-11H,3-9H2,1-2H3
InChIKeyZEJOCRFOTFTJPH-UHFFFAOYSA-N
MW292.32 g/mol
LogP2.90
Rot. Bonds4

About ethyl 3-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate

ethyl 3-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate (PubChem CID 158525319) has the molecular formula C14H22F2O4 and a molecular weight of 292.32 g/mol. Its IUPAC name is ethyl 3-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
PubChem CID158525319
Molecular FormulaC14H22F2O4
Molecular Weight292.32 g/mol
Exact Mass292.15
IUPAC Nameethyl 3-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)C1CCC2(CC1)OCC(CC(C)(F)F)O2
InChIInChI=1S/C14H22F2O4/c1-3-18-12(17)10-4-6-14(7-5-10)19-9-11(20-14)8-13(2,15)16/h10-11H,3-9H2,1-2H3
InChIKeyZEJOCRFOTFTJPH-UHFFFAOYSA-N
XLogP2.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate 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

Ethyl 1,4-dioxaspiro(4.5)decane-8-carboxylate
CID 10488810
Methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 10845708
Methyl 3-(1,4-dioxaspiro[4.5]dec-6-yl)propanoate
CID 3791580
methyl (1S,3R,4S)-3-fluoro-4-(oxan-2-yloxy)cyclohexane-1-carboxylate
CID 117816770
methyl 2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]acetate
CID 11506757
Methyl cis-4-((2,2,3,3,4,4,4-heptafluorobutanoyl)oxy)cyclohexanecarboxylate
CID 91697668
Methyl cis-4-((2,2,3,3,3-pentafluoropropanoyl)oxy)cyclohexanecarboxylate
CID 91697669
Methyl cis-4-(2,2,2-trifluoroacetoxy)cyclohexanecarboxylate
CID 91697670
(5-Butyl-1,3-dioxan-2-yl) 4-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)cyclohexane-1-carboxylate
CID 20615316
trans-ethyl (1S,4S)-3-fluoro-4-(oxan-2-yloxy)cyclohexane-1-carboxylate
CID 57908120
[4,4-Difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-2-yl]methyl cyclohexanecarboxylate
CID 57983909
Methoxymethyl 4-(2,2-difluoropropanoyloxy)cyclohexane-1-carboxylate
CID 58114686

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The IUPAC name of ethyl 3-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate (CID 158525319) is ethyl 3-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for ethyl 3-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for ethyl 3-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate is CCOC(=O)C1CCC2(CC1)OCC(CC(C)(F)F)O2.
What is the InChIKey of ethyl 3-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The InChIKey is ZEJOCRFOTFTJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2O4/c1-3-18-12(17)10-4-6-14(7-5-10)19-9-11(20-14)8-13(2,15)16/h10-11H,3-9H2,1-2H3.
What are the key properties of ethyl 3-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate?
ethyl 3-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate has a molecular weight of 292.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,2-difluoropropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 158525319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).