2-(2-adamantyloxy)-2,2-difluoroacetate

C12H15F2O3- — CID 164747622

IUPAC2-(2-adamantyloxy)-2,2-difluoroacetate
SMILESO=C([O-])C(F)(F)OC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H16F2O3/c13-12(14,11(15)16)17-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2,(H,15,16)/p-1
InChIKeyZUMLPZBNUSJARU-UHFFFAOYSA-M
MW245.24 g/mol
LogP1.17
Rot. Bonds3

About 2-(2-adamantyloxy)-2,2-difluoroacetate

2-(2-adamantyloxy)-2,2-difluoroacetate (PubChem CID 164747622) has the molecular formula C12H15F2O3- and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-(2-adamantyloxy)-2,2-difluoroacetate.

Molecular Properties

Compound Name2-(2-adamantyloxy)-2,2-difluoroacetate
PubChem CID164747622
Molecular FormulaC12H15F2O3-
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name2-(2-adamantyloxy)-2,2-difluoroacetate
SMILESO=C([O-])C(F)(F)OC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H16F2O3/c13-12(14,11(15)16)17-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2,(H,15,16)/p-1
InChIKeyZUMLPZBNUSJARU-UHFFFAOYSA-M
XLogP1.17
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-adamantyl 2-(trifluoromethyl)prop-2-enoate
CID 10214718
2-(1-adamantyloxy)-2,2-difluoroacetate
CID 162451011
2-cyclohexyloxy-2,2-difluoroacetate
CID 164746573
2-adamantyl carbonochloridate
CID 10878537
5-(2-adamantyloxy)-2,2,3,3,4,4-hexafluoro-5-oxopentanoic acid
CID 164747747
3-[2-(2-adamantyloxy)propan-2-yloxy]-4-fluorobenzoate
CID 170686034
1-(2-adamantyloxy)-2-fluoro-1-oxopropane-2-sulfonic acid
CID 123331204
2,2-difluoro-2-methoxyacetate
CID 164747737
magnesium bis(2,2,2-trifluoroacetate)
CID 11139550
2-[[9-(1-adamantyloxycarbonyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2,2-difluoroacetate
CID 164746668
methyl 2-(2-adamantyloxysulfonyl)-2,2-difluoroacetate
CID 175071168
adamantane;carboxy hydrogen carbonate
CID 87605200

Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantyloxy)-2,2-difluoroacetate?
The IUPAC name of 2-(2-adamantyloxy)-2,2-difluoroacetate (CID 164747622) is 2-(2-adamantyloxy)-2,2-difluoroacetate.
What is the SMILES notation for 2-(2-adamantyloxy)-2,2-difluoroacetate?
The canonical SMILES for 2-(2-adamantyloxy)-2,2-difluoroacetate is O=C([O-])C(F)(F)OC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(2-adamantyloxy)-2,2-difluoroacetate?
The InChIKey is ZUMLPZBNUSJARU-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H16F2O3/c13-12(14,11(15)16)17-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2,(H,15,16)/p-1.
What are the key properties of 2-(2-adamantyloxy)-2,2-difluoroacetate?
2-(2-adamantyloxy)-2,2-difluoroacetate has a molecular weight of 245.24 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantyloxy)-2,2-difluoroacetate is sourced from PubChem (CID 164747622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).