(5-methoxy-3-tetracyclo[3.3.1.01,3.07,9]nonanyl)methyl 2-fluoroacetate

C13H17FO3 — CID 163818266

IUPAC(5-methoxy-3-tetracyclo[3.3.1.01,3.07,9]nonanyl)methyl 2-fluoroacetate
SMILESCOC12CC3CC4(CC4(COC(=O)CF)C1)C32
InChIInChI=1S/C13H17FO3/c1-16-13-3-8-2-12(10(8)13)5-11(12,6-13)7-17-9(15)4-14/h8,10H,2-7H2,1H3
InChIKeyNTEPLAWRFGRWFE-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.70
Rot. Bonds4

About (5-methoxy-3-tetracyclo[3.3.1.01,3.07,9]nonanyl)methyl 2-fluoroacetate

(5-methoxy-3-tetracyclo[3.3.1.01,3.07,9]nonanyl)methyl 2-fluoroacetate (PubChem CID 163818266) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is (5-methoxy-3-tetracyclo[3.3.1.01,3.07,9]nonanyl)methyl 2-fluoroacetate.

Molecular Properties

Compound Name(5-methoxy-3-tetracyclo[3.3.1.01,3.07,9]nonanyl)methyl 2-fluoroacetate
PubChem CID163818266
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Name(5-methoxy-3-tetracyclo[3.3.1.01,3.07,9]nonanyl)methyl 2-fluoroacetate
SMILESCOC12CC3CC4(CC4(COC(=O)CF)C1)C32
InChIInChI=1S/C13H17FO3/c1-16-13-3-8-2-12(10(8)13)5-11(12,6-13)7-17-9(15)4-14/h8,10H,2-7H2,1H3
InChIKeyNTEPLAWRFGRWFE-UHFFFAOYSA-N
XLogP1.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-3-tetracyclo[3.3.1.01,3.07,9]nonanyl)methyl 2-fluoroacetate?
The IUPAC name of (5-methoxy-3-tetracyclo[3.3.1.01,3.07,9]nonanyl)methyl 2-fluoroacetate (CID 163818266) is (5-methoxy-3-tetracyclo[3.3.1.01,3.07,9]nonanyl)methyl 2-fluoroacetate.
What is the SMILES notation for (5-methoxy-3-tetracyclo[3.3.1.01,3.07,9]nonanyl)methyl 2-fluoroacetate?
The canonical SMILES for (5-methoxy-3-tetracyclo[3.3.1.01,3.07,9]nonanyl)methyl 2-fluoroacetate is COC12CC3CC4(CC4(COC(=O)CF)C1)C32.
What is the InChIKey of (5-methoxy-3-tetracyclo[3.3.1.01,3.07,9]nonanyl)methyl 2-fluoroacetate?
The InChIKey is NTEPLAWRFGRWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c1-16-13-3-8-2-12(10(8)13)5-11(12,6-13)7-17-9(15)4-14/h8,10H,2-7H2,1H3.
What are the key properties of (5-methoxy-3-tetracyclo[3.3.1.01,3.07,9]nonanyl)methyl 2-fluoroacetate?
(5-methoxy-3-tetracyclo[3.3.1.01,3.07,9]nonanyl)methyl 2-fluoroacetate has a molecular weight of 240.27 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-3-tetracyclo[3.3.1.01,3.07,9]nonanyl)methyl 2-fluoroacetate is sourced from PubChem (CID 163818266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).