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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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).