1-(2-fluoroethoxy)adamantane

C12H19FO — CID 174355273

IUPAC1-(2-fluoroethoxy)adamantane
SMILESFCCOC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H19FO/c13-1-2-14-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1-8H2
InChIKeyIVWFBBBXTIZZCY-UHFFFAOYSA-N
MW198.28 g/mol
LogP2.94
Rot. Bonds3

About 1-(2-fluoroethoxy)adamantane

1-(2-fluoroethoxy)adamantane (PubChem CID 174355273) has the molecular formula C12H19FO and a molecular weight of 198.28 g/mol. Its IUPAC name is 1-(2-fluoroethoxy)adamantane.

Molecular Properties

Compound Name1-(2-fluoroethoxy)adamantane
PubChem CID174355273
Molecular FormulaC12H19FO
Molecular Weight198.28 g/mol
Exact Mass198.14
IUPAC Name1-(2-fluoroethoxy)adamantane
SMILESFCCOC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H19FO/c13-1-2-14-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1-8H2
InChIKeyIVWFBBBXTIZZCY-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethoxy)adamantane?
The IUPAC name of 1-(2-fluoroethoxy)adamantane (CID 174355273) is 1-(2-fluoroethoxy)adamantane.
What is the SMILES notation for 1-(2-fluoroethoxy)adamantane?
The canonical SMILES for 1-(2-fluoroethoxy)adamantane is FCCOC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(2-fluoroethoxy)adamantane?
The InChIKey is IVWFBBBXTIZZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FO/c13-1-2-14-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1-8H2.
What are the key properties of 1-(2-fluoroethoxy)adamantane?
1-(2-fluoroethoxy)adamantane has a molecular weight of 198.28 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethoxy)adamantane is sourced from PubChem (CID 174355273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).