tert-butyl N-(4-fluoropyrrolidin-3-yl)carbamate

C9H17FN2O2 — CID 19691495

IUPACtert-butyl N-(4-fluoropyrrolidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CNCC1F
InChIInChI=1S/C9H17FN2O2/c1-9(2,3)14-8(13)12-7-5-11-4-6(7)10/h6-7,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyBZSDDSIFAGBZLT-UHFFFAOYSA-N
MW204.24 g/mol
LogP0.82
Rot. Bonds1

About tert-butyl N-(4-fluoropyrrolidin-3-yl)carbamate

tert-butyl N-(4-fluoropyrrolidin-3-yl)carbamate (PubChem CID 19691495) has the molecular formula C9H17FN2O2 and a molecular weight of 204.24 g/mol. Its IUPAC name is tert-butyl N-(4-fluoropyrrolidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-fluoropyrrolidin-3-yl)carbamate
PubChem CID19691495
Molecular FormulaC9H17FN2O2
Molecular Weight204.24 g/mol
Exact Mass204.13
IUPAC Nametert-butyl N-(4-fluoropyrrolidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CNCC1F
InChIInChI=1S/C9H17FN2O2/c1-9(2,3)14-8(13)12-7-5-11-4-6(7)10/h6-7,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyBZSDDSIFAGBZLT-UHFFFAOYSA-N
XLogP0.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-fluoropyrrolidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(4-fluoropyrrolidin-3-yl)carbamate (CID 19691495) is tert-butyl N-(4-fluoropyrrolidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-fluoropyrrolidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-fluoropyrrolidin-3-yl)carbamate is CC(C)(C)OC(=O)NC1CNCC1F.
What is the InChIKey of tert-butyl N-(4-fluoropyrrolidin-3-yl)carbamate?
The InChIKey is BZSDDSIFAGBZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O2/c1-9(2,3)14-8(13)12-7-5-11-4-6(7)10/h6-7,11H,4-5H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-(4-fluoropyrrolidin-3-yl)carbamate?
tert-butyl N-(4-fluoropyrrolidin-3-yl)carbamate has a molecular weight of 204.24 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-fluoropyrrolidin-3-yl)carbamate is sourced from PubChem (CID 19691495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).