2-fluoroethyl 5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate

C10H11FO5 — CID 90265048

IUPAC2-fluoroethyl 5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate
SMILESO=C(OCCF)C1C2CC3OC(=O)C1C3O2
InChIInChI=1S/C10H11FO5/c11-1-2-14-9(12)6-4-3-5-8(15-4)7(6)10(13)16-5/h4-8H,1-3H2
InChIKeyJSDZGCMPDBDVSS-UHFFFAOYSA-N
MW230.19 g/mol
LogP-0.17
Rot. Bonds3

About 2-fluoroethyl 5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate

2-fluoroethyl 5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate (PubChem CID 90265048) has the molecular formula C10H11FO5 and a molecular weight of 230.19 g/mol. Its IUPAC name is 2-fluoroethyl 5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl 5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate
PubChem CID90265048
Molecular FormulaC10H11FO5
Molecular Weight230.19 g/mol
Exact Mass230.06
IUPAC Name2-fluoroethyl 5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate
SMILESO=C(OCCF)C1C2CC3OC(=O)C1C3O2
InChIInChI=1S/C10H11FO5/c11-1-2-14-9(12)6-4-3-5-8(15-4)7(6)10(13)16-5/h4-8H,1-3H2
InChIKeyJSDZGCMPDBDVSS-UHFFFAOYSA-N
XLogP-0.17
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
The IUPAC name of 2-fluoroethyl 5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate (CID 90265048) is 2-fluoroethyl 5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate.
What is the SMILES notation for 2-fluoroethyl 5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
The canonical SMILES for 2-fluoroethyl 5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate is O=C(OCCF)C1C2CC3OC(=O)C1C3O2.
What is the InChIKey of 2-fluoroethyl 5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
The InChIKey is JSDZGCMPDBDVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO5/c11-1-2-14-9(12)6-4-3-5-8(15-4)7(6)10(13)16-5/h4-8H,1-3H2.
What are the key properties of 2-fluoroethyl 5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
2-fluoroethyl 5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate has a molecular weight of 230.19 g/mol, XLogP of -0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate is sourced from PubChem (CID 90265048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).