2-fluoroethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate

C14H24FNO2 — CID 59614164

IUPAC2-fluoroethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)C1CC2CCC(C1)N2C(=O)OCCF
InChIInChI=1S/C14H24FNO2/c1-14(2,3)10-8-11-4-5-12(9-10)16(11)13(17)18-7-6-15/h10-12H,4-9H2,1-3H3
InChIKeyDTSXWUPZYHZWRQ-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.38
Rot. Bonds2

About 2-fluoroethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate

2-fluoroethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 59614164) has the molecular formula C14H24FNO2 and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-fluoroethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID59614164
Molecular FormulaC14H24FNO2
Molecular Weight257.35 g/mol
Exact Mass257.18
IUPAC Name2-fluoroethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)C1CC2CCC(C1)N2C(=O)OCCF
InChIInChI=1S/C14H24FNO2/c1-14(2,3)10-8-11-4-5-12(9-10)16(11)13(17)18-7-6-15/h10-12H,4-9H2,1-3H3
InChIKeyDTSXWUPZYHZWRQ-UHFFFAOYSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of 2-fluoroethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 59614164) is 2-fluoroethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for 2-fluoroethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for 2-fluoroethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate is CC(C)(C)C1CC2CCC(C1)N2C(=O)OCCF.
What is the InChIKey of 2-fluoroethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is DTSXWUPZYHZWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO2/c1-14(2,3)10-8-11-4-5-12(9-10)16(11)13(17)18-7-6-15/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-fluoroethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
2-fluoroethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 257.35 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 59614164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).