8-tricyclo[5.2.1.02,6]decanyl 2-fluoro-2-methylpropanoate

C14H21FO2 — CID 138699160

IUPAC8-tricyclo[5.2.1.02,6]decanyl 2-fluoro-2-methylpropanoate
SMILESCC(C)(F)C(=O)OC1CC2CC1C1CCCC21
InChIInChI=1S/C14H21FO2/c1-14(2,15)13(16)17-12-7-8-6-11(12)10-5-3-4-9(8)10/h8-12H,3-7H2,1-2H3
InChIKeyGJZPZLHZBBEMRC-UHFFFAOYSA-N
MW240.32 g/mol
LogP3.10
Rot. Bonds2

About 8-tricyclo[5.2.1.02,6]decanyl 2-fluoro-2-methylpropanoate

8-tricyclo[5.2.1.02,6]decanyl 2-fluoro-2-methylpropanoate (PubChem CID 138699160) has the molecular formula C14H21FO2 and a molecular weight of 240.32 g/mol. Its IUPAC name is 8-tricyclo[5.2.1.02,6]decanyl 2-fluoro-2-methylpropanoate.

Molecular Properties

Compound Name8-tricyclo[5.2.1.02,6]decanyl 2-fluoro-2-methylpropanoate
PubChem CID138699160
Molecular FormulaC14H21FO2
Molecular Weight240.32 g/mol
Exact Mass240.15
IUPAC Name8-tricyclo[5.2.1.02,6]decanyl 2-fluoro-2-methylpropanoate
SMILESCC(C)(F)C(=O)OC1CC2CC1C1CCCC21
InChIInChI=1S/C14H21FO2/c1-14(2,15)13(16)17-12-7-8-6-11(12)10-5-3-4-9(8)10/h8-12H,3-7H2,1-2H3
InChIKeyGJZPZLHZBBEMRC-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-tricyclo[5.2.1.02,6]decanyl 2-fluoro-2-methylpropanoate?
The IUPAC name of 8-tricyclo[5.2.1.02,6]decanyl 2-fluoro-2-methylpropanoate (CID 138699160) is 8-tricyclo[5.2.1.02,6]decanyl 2-fluoro-2-methylpropanoate.
What is the SMILES notation for 8-tricyclo[5.2.1.02,6]decanyl 2-fluoro-2-methylpropanoate?
The canonical SMILES for 8-tricyclo[5.2.1.02,6]decanyl 2-fluoro-2-methylpropanoate is CC(C)(F)C(=O)OC1CC2CC1C1CCCC21.
What is the InChIKey of 8-tricyclo[5.2.1.02,6]decanyl 2-fluoro-2-methylpropanoate?
The InChIKey is GJZPZLHZBBEMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO2/c1-14(2,15)13(16)17-12-7-8-6-11(12)10-5-3-4-9(8)10/h8-12H,3-7H2,1-2H3.
What are the key properties of 8-tricyclo[5.2.1.02,6]decanyl 2-fluoro-2-methylpropanoate?
8-tricyclo[5.2.1.02,6]decanyl 2-fluoro-2-methylpropanoate has a molecular weight of 240.32 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tricyclo[5.2.1.02,6]decanyl 2-fluoro-2-methylpropanoate is sourced from PubChem (CID 138699160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).