(1-tert-butyl-4-fluoropyrrolidin-3-yl) hydrogen carbonate

C9H16FNO3 — CID 67182782

IUPAC(1-tert-butyl-4-fluoropyrrolidin-3-yl) hydrogen carbonate
SMILESCC(C)(C)N1CC(F)C(OC(=O)O)C1
InChIInChI=1S/C9H16FNO3/c1-9(2,3)11-4-6(10)7(5-11)14-8(12)13/h6-7H,4-5H2,1-3H3,(H,12,13)
InChIKeyYZUQMMMOCVPQHI-UHFFFAOYSA-N
MW205.23 g/mol
LogP1.50
Rot. Bonds1

About (1-tert-butyl-4-fluoropyrrolidin-3-yl) hydrogen carbonate

(1-tert-butyl-4-fluoropyrrolidin-3-yl) hydrogen carbonate (PubChem CID 67182782) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is (1-tert-butyl-4-fluoropyrrolidin-3-yl) hydrogen carbonate.

Molecular Properties

Compound Name(1-tert-butyl-4-fluoropyrrolidin-3-yl) hydrogen carbonate
PubChem CID67182782
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Name(1-tert-butyl-4-fluoropyrrolidin-3-yl) hydrogen carbonate
SMILESCC(C)(C)N1CC(F)C(OC(=O)O)C1
InChIInChI=1S/C9H16FNO3/c1-9(2,3)11-4-6(10)7(5-11)14-8(12)13/h6-7H,4-5H2,1-3H3,(H,12,13)
InChIKeyYZUQMMMOCVPQHI-UHFFFAOYSA-N
XLogP1.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-4-fluoropyrrolidin-3-yl) hydrogen carbonate?
The IUPAC name of (1-tert-butyl-4-fluoropyrrolidin-3-yl) hydrogen carbonate (CID 67182782) is (1-tert-butyl-4-fluoropyrrolidin-3-yl) hydrogen carbonate.
What is the SMILES notation for (1-tert-butyl-4-fluoropyrrolidin-3-yl) hydrogen carbonate?
The canonical SMILES for (1-tert-butyl-4-fluoropyrrolidin-3-yl) hydrogen carbonate is CC(C)(C)N1CC(F)C(OC(=O)O)C1.
What is the InChIKey of (1-tert-butyl-4-fluoropyrrolidin-3-yl) hydrogen carbonate?
The InChIKey is YZUQMMMOCVPQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO3/c1-9(2,3)11-4-6(10)7(5-11)14-8(12)13/h6-7H,4-5H2,1-3H3,(H,12,13).
What are the key properties of (1-tert-butyl-4-fluoropyrrolidin-3-yl) hydrogen carbonate?
(1-tert-butyl-4-fluoropyrrolidin-3-yl) hydrogen carbonate has a molecular weight of 205.23 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-4-fluoropyrrolidin-3-yl) hydrogen carbonate is sourced from PubChem (CID 67182782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).