1-(2,2-difluoroethoxymethyl)-3-ethoxyadamantane

C15H24F2O2 — CID 58225954

IUPAC1-(2,2-difluoroethoxymethyl)-3-ethoxyadamantane
SMILESCCOC12CC3CC(CC(COCC(F)F)(C3)C1)C2
InChIInChI=1S/C15H24F2O2/c1-2-19-15-6-11-3-12(7-15)5-14(4-11,9-15)10-18-8-13(16)17/h11-13H,2-10H2,1H3
InChIKeyPKERTZDIHCTYFM-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.64
Rot. Bonds6

About 1-(2,2-difluoroethoxymethyl)-3-ethoxyadamantane

1-(2,2-difluoroethoxymethyl)-3-ethoxyadamantane (PubChem CID 58225954) has the molecular formula C15H24F2O2 and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxymethyl)-3-ethoxyadamantane.

Molecular Properties

Compound Name1-(2,2-difluoroethoxymethyl)-3-ethoxyadamantane
PubChem CID58225954
Molecular FormulaC15H24F2O2
Molecular Weight274.35 g/mol
Exact Mass274.17
IUPAC Name1-(2,2-difluoroethoxymethyl)-3-ethoxyadamantane
SMILESCCOC12CC3CC(CC(COCC(F)F)(C3)C1)C2
InChIInChI=1S/C15H24F2O2/c1-2-19-15-6-11-3-12(7-15)5-14(4-11,9-15)10-18-8-13(16)17/h11-13H,2-10H2,1H3
InChIKeyPKERTZDIHCTYFM-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(5S,7S)-3-ethyl-1-adamantyl]oxy]ethanol
CID 98064938
2-[(3-ethyl-1-adamantyl)oxy]ethanol
CID 53216180
1-[[2,2-difluoro-2-(trioxidanylsulfanyl)ethoxy]methyl]-3-methoxyadamantane
CID 59440609
1-[[2,2-difluoro-2-(trioxidanylsulfanyl)ethoxy]methyl]-3-ethoxy-5-methoxyadamantane
CID 59440643
1-[(2,2-difluoro-2-oxidoperoxysulfanylethoxy)methyl]-3-methoxyadamantane
CID 59440608
3-(chloromethoxymethyl)adamantan-1-ol
CID 58669022
(3-methoxy-1-adamantyl)methyl acetate
CID 118908215
[3-(methoxymethyl)-1-adamantyl] acetate
CID 177115329
1,1-difluoro-2-[[3-(methoxymethoxy)-1-adamantyl]methoxy]-2-oxoethanesulfinic acid
CID 167141191
[3-(acetyloxymethyl)-1-adamantyl] 2-ethoxyacetate;bis(ethyl 2-acetyloxyacetate);ethyl 3-acetyloxy-2,2-dimethylpropanoate;ethyl 2-[[3-(acetyloxymethyl)-1-adamantyl]oxy]acetate;ethyl 3-acetyloxy-2-methylpropanoate
CID 160794772
2,2-difluoropropyl 3-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]adamantane-1-carboxylate
CID 157260819
2,2-difluoropropyl 3-butoxyadamantane-1-carboxylate;2,2-difluoropropyl 3-ethoxyadamantane-1-carboxylate
CID 123259647

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxymethyl)-3-ethoxyadamantane?
The IUPAC name of 1-(2,2-difluoroethoxymethyl)-3-ethoxyadamantane (CID 58225954) is 1-(2,2-difluoroethoxymethyl)-3-ethoxyadamantane.
What is the SMILES notation for 1-(2,2-difluoroethoxymethyl)-3-ethoxyadamantane?
The canonical SMILES for 1-(2,2-difluoroethoxymethyl)-3-ethoxyadamantane is CCOC12CC3CC(CC(COCC(F)F)(C3)C1)C2.
What is the InChIKey of 1-(2,2-difluoroethoxymethyl)-3-ethoxyadamantane?
The InChIKey is PKERTZDIHCTYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2O2/c1-2-19-15-6-11-3-12(7-15)5-14(4-11,9-15)10-18-8-13(16)17/h11-13H,2-10H2,1H3.
What are the key properties of 1-(2,2-difluoroethoxymethyl)-3-ethoxyadamantane?
1-(2,2-difluoroethoxymethyl)-3-ethoxyadamantane has a molecular weight of 274.35 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxymethyl)-3-ethoxyadamantane is sourced from PubChem (CID 58225954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).