tert-butyl 3-fluorooxypyrrolidine-1-carboxylate

C9H16FNO3 — CID 176554751

IUPACtert-butyl 3-fluorooxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OF)C1
InChIInChI=1S/C9H16FNO3/c1-9(2,3)13-8(12)11-5-4-7(6-11)14-10/h7H,4-6H2,1-3H3
InChIKeyVLEIJIFLCORZLM-UHFFFAOYSA-N
MW205.23 g/mol
LogP1.90
Rot. Bonds1

About tert-butyl 3-fluorooxypyrrolidine-1-carboxylate

tert-butyl 3-fluorooxypyrrolidine-1-carboxylate (PubChem CID 176554751) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is tert-butyl 3-fluorooxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-fluorooxypyrrolidine-1-carboxylate
PubChem CID176554751
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Nametert-butyl 3-fluorooxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OF)C1
InChIInChI=1S/C9H16FNO3/c1-9(2,3)13-8(12)11-5-4-7(6-11)14-10/h7H,4-6H2,1-3H3
InChIKeyVLEIJIFLCORZLM-UHFFFAOYSA-N
XLogP1.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Isopropyl 1-pyrrolidinecarboxylate
CID 79230
N-Boc-pyrrolidine
CID 643455
tert-Butyl (3S)-3-hydroxypyrrolidine-1-carboxylate
CID 854055
1-Boc-3-pyrrolidinol
CID 4416939
Tert-butyl 2-methoxypyrrolidine-1-carboxylate
CID 10899667
Compound 10
CID 13329883
(3R,4R)-tert-Butyl 3-fluoro-4-hydroxypyrrolidine-1-carboxylate
CID 57416936
tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate
CID 6544479
Tert-butyl 3-acetoxypyrrolidine-1-carboxylate
CID 13466616
tert-Butyl (3S)-3-fluoropyrrolidine-1-carboxylate
CID 18453464
Tert-butyl 3-(aminooxy)pyrrolidine-1-carboxylate
CID 19691331
tert-Butyl 3-fluoropyrrolidine-1-carboxylate
CID 25000885

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-fluorooxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-fluorooxypyrrolidine-1-carboxylate (CID 176554751) is tert-butyl 3-fluorooxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-fluorooxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-fluorooxypyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OF)C1.
What is the InChIKey of tert-butyl 3-fluorooxypyrrolidine-1-carboxylate?
The InChIKey is VLEIJIFLCORZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO3/c1-9(2,3)13-8(12)11-5-4-7(6-11)14-10/h7H,4-6H2,1-3H3.
What are the key properties of tert-butyl 3-fluorooxypyrrolidine-1-carboxylate?
tert-butyl 3-fluorooxypyrrolidine-1-carboxylate has a molecular weight of 205.23 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-fluorooxypyrrolidine-1-carboxylate is sourced from PubChem (CID 176554751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).