methyl 2-(2-bicyclo[2.2.1]heptanyl)-2-fluoroacetate

C10H15FO2 — CID 12060823

IUPACmethyl 2-(2-bicyclo[2.2.1]heptanyl)-2-fluoroacetate
SMILESCOC(=O)C(F)C1CC2CCC1C2
InChIInChI=1S/C10H15FO2/c1-13-10(12)9(11)8-5-6-2-3-7(8)4-6/h6-9H,2-5H2,1H3
InChIKeyOFJQEQVFGWOZGF-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.93
Rot. Bonds2

About methyl 2-(2-bicyclo[2.2.1]heptanyl)-2-fluoroacetate

methyl 2-(2-bicyclo[2.2.1]heptanyl)-2-fluoroacetate (PubChem CID 12060823) has the molecular formula C10H15FO2 and a molecular weight of 186.23 g/mol. Its IUPAC name is methyl 2-(2-bicyclo[2.2.1]heptanyl)-2-fluoroacetate.

Molecular Properties

Compound Namemethyl 2-(2-bicyclo[2.2.1]heptanyl)-2-fluoroacetate
PubChem CID12060823
Molecular FormulaC10H15FO2
Molecular Weight186.23 g/mol
Exact Mass186.11
IUPAC Namemethyl 2-(2-bicyclo[2.2.1]heptanyl)-2-fluoroacetate
SMILESCOC(=O)C(F)C1CC2CCC1C2
InChIInChI=1S/C10H15FO2/c1-13-10(12)9(11)8-5-6-2-3-7(8)4-6/h6-9H,2-5H2,1H3
InChIKeyOFJQEQVFGWOZGF-UHFFFAOYSA-N
XLogP1.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bicyclo[2.2.1]heptanyl)-2-fluoroacetate?
The IUPAC name of methyl 2-(2-bicyclo[2.2.1]heptanyl)-2-fluoroacetate (CID 12060823) is methyl 2-(2-bicyclo[2.2.1]heptanyl)-2-fluoroacetate.
What is the SMILES notation for methyl 2-(2-bicyclo[2.2.1]heptanyl)-2-fluoroacetate?
The canonical SMILES for methyl 2-(2-bicyclo[2.2.1]heptanyl)-2-fluoroacetate is COC(=O)C(F)C1CC2CCC1C2.
What is the InChIKey of methyl 2-(2-bicyclo[2.2.1]heptanyl)-2-fluoroacetate?
The InChIKey is OFJQEQVFGWOZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO2/c1-13-10(12)9(11)8-5-6-2-3-7(8)4-6/h6-9H,2-5H2,1H3.
What are the key properties of methyl 2-(2-bicyclo[2.2.1]heptanyl)-2-fluoroacetate?
methyl 2-(2-bicyclo[2.2.1]heptanyl)-2-fluoroacetate has a molecular weight of 186.23 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bicyclo[2.2.1]heptanyl)-2-fluoroacetate is sourced from PubChem (CID 12060823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).