ethyl 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate

C12H18F2O5 — CID 66038599

IUPACethyl 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate
SMILESCCOC(=O)C(F)(F)C1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C12H18F2O5/c1-2-17-9(15)12(13,14)10(16)3-5-11(6-4-10)18-7-8-19-11/h16H,2-8H2,1H3
InChIKeyIHZWWHAZSSKIIP-UHFFFAOYSA-N
MW280.27 g/mol
LogP1.23
Rot. Bonds3

About ethyl 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate

ethyl 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate (PubChem CID 66038599) has the molecular formula C12H18F2O5 and a molecular weight of 280.27 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate
PubChem CID66038599
Molecular FormulaC12H18F2O5
Molecular Weight280.27 g/mol
Exact Mass280.11
IUPAC Nameethyl 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate
SMILESCCOC(=O)C(F)(F)C1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C12H18F2O5/c1-2-17-9(15)12(13,14)10(16)3-5-11(6-4-10)18-7-8-19-11/h16H,2-8H2,1H3
InChIKeyIHZWWHAZSSKIIP-UHFFFAOYSA-N
XLogP1.23
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4,4-Difluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] cyclohexanecarboxylate
CID 57983939
[4,4-Difluoro-5-hydroxy-3,5-bis(trifluoromethyl)oxolan-3-yl] cyclohexanecarboxylate
CID 57983943
[4,4-Difluoro-5-hydroxy-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolan-3-yl] cyclohexanecarboxylate
CID 57983959
[4,4-Difluoro-5-hydroxy-3-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)oxolan-3-yl] cyclohexanecarboxylate
CID 57983981
[4,4-Difluoro-5-hydroxy-3-(1,1,2,2,3,3,4,4-octafluorobutyl)-5-(trifluoromethyl)oxolan-3-yl] cyclohexanecarboxylate
CID 57983983
[4,4-Difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] cyclohexanecarboxylate
CID 57984013
2,2-Difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid
CID 66039794
8-(Trifluoromethyl)-1,4-dioxaspiro[4.5]decane-6-carboxylic acid
CID 134299794
(6R,8R)-8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-6-carboxylic acid
CID 138684441
(6S,8S)-8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-6-carboxylic acid
CID 138684443
Ethyl 8,8-difluoro-1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 139530204
Methyl 1-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]cyclohexane-1-carboxylate
CID 140120927

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate (CID 66038599) is ethyl 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate is CCOC(=O)C(F)(F)C1(O)CCC2(CC1)OCCO2.
What is the InChIKey of ethyl 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate?
The InChIKey is IHZWWHAZSSKIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2O5/c1-2-17-9(15)12(13,14)10(16)3-5-11(6-4-10)18-7-8-19-11/h16H,2-8H2,1H3.
What are the key properties of ethyl 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate?
ethyl 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate has a molecular weight of 280.27 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate is sourced from PubChem (CID 66038599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).