2-fluoroethyl 3-tert-butylpyrrolidine-1-carboxylate

C11H20FNO2 — CID 59614246

IUPAC2-fluoroethyl 3-tert-butylpyrrolidine-1-carboxylate
SMILESCC(C)(C)C1CCN(C(=O)OCCF)C1
InChIInChI=1S/C11H20FNO2/c1-11(2,3)9-4-6-13(8-9)10(14)15-7-5-12/h9H,4-8H2,1-3H3
InChIKeyIOHRAHWHQIDXCZ-UHFFFAOYSA-N
MW217.28 g/mol
LogP2.46
Rot. Bonds2

About 2-fluoroethyl 3-tert-butylpyrrolidine-1-carboxylate

2-fluoroethyl 3-tert-butylpyrrolidine-1-carboxylate (PubChem CID 59614246) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-fluoroethyl 3-tert-butylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl 3-tert-butylpyrrolidine-1-carboxylate
PubChem CID59614246
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Name2-fluoroethyl 3-tert-butylpyrrolidine-1-carboxylate
SMILESCC(C)(C)C1CCN(C(=O)OCCF)C1
InChIInChI=1S/C11H20FNO2/c1-11(2,3)9-4-6-13(8-9)10(14)15-7-5-12/h9H,4-8H2,1-3H3
InChIKeyIOHRAHWHQIDXCZ-UHFFFAOYSA-N
XLogP2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 52.46
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-butylpyrrolidine-1-carboxylate?
The IUPAC name of 2-fluoroethyl 3-tert-butylpyrrolidine-1-carboxylate (CID 59614246) is 2-fluoroethyl 3-tert-butylpyrrolidine-1-carboxylate.
What is the SMILES notation for 2-fluoroethyl 3-tert-butylpyrrolidine-1-carboxylate?
The canonical SMILES for 2-fluoroethyl 3-tert-butylpyrrolidine-1-carboxylate is CC(C)(C)C1CCN(C(=O)OCCF)C1.
What is the InChIKey of 2-fluoroethyl 3-tert-butylpyrrolidine-1-carboxylate?
The InChIKey is IOHRAHWHQIDXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-11(2,3)9-4-6-13(8-9)10(14)15-7-5-12/h9H,4-8H2,1-3H3.
What are the key properties of 2-fluoroethyl 3-tert-butylpyrrolidine-1-carboxylate?
2-fluoroethyl 3-tert-butylpyrrolidine-1-carboxylate has a molecular weight of 217.28 g/mol, XLogP of 2.46, 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-butylpyrrolidine-1-carboxylate is sourced from PubChem (CID 59614246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).