tert-butyl N-[(2S,3R,4R)-2-(2-fluoroethyl)-4-hydroxyoxolan-3-yl]carbamate

C11H20FNO4 — CID 69110758

IUPACtert-butyl N-[(2S,3R,4R)-2-(2-fluoroethyl)-4-hydroxyoxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1[C@H](CCF)OC[C@@H]1O
InChIInChI=1S/C11H20FNO4/c1-11(2,3)17-10(15)13-9-7(14)6-16-8(9)4-5-12/h7-9,14H,4-6H2,1-3H3,(H,13,15)/t7-,8-,9+/m0/s1
InChIKeyQMOQFHMCJWUXNI-XHNCKOQMSA-N
MW249.28 g/mol
LogP1.00
Rot. Bonds3

About tert-butyl N-[(2S,3R,4R)-2-(2-fluoroethyl)-4-hydroxyoxolan-3-yl]carbamate

tert-butyl N-[(2S,3R,4R)-2-(2-fluoroethyl)-4-hydroxyoxolan-3-yl]carbamate (PubChem CID 69110758) has the molecular formula C11H20FNO4 and a molecular weight of 249.28 g/mol. Its IUPAC name is tert-butyl N-[(2S,3R,4R)-2-(2-fluoroethyl)-4-hydroxyoxolan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3R,4R)-2-(2-fluoroethyl)-4-hydroxyoxolan-3-yl]carbamate
PubChem CID69110758
Molecular FormulaC11H20FNO4
Molecular Weight249.28 g/mol
Exact Mass249.14
IUPAC Nametert-butyl N-[(2S,3R,4R)-2-(2-fluoroethyl)-4-hydroxyoxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1[C@H](CCF)OC[C@@H]1O
InChIInChI=1S/C11H20FNO4/c1-11(2,3)17-10(15)13-9-7(14)6-16-8(9)4-5-12/h7-9,14H,4-6H2,1-3H3,(H,13,15)/t7-,8-,9+/m0/s1
InChIKeyQMOQFHMCJWUXNI-XHNCKOQMSA-N
XLogP1.00
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3R,4R)-2-(2-fluoroethyl)-4-hydroxyoxolan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3R,4R)-2-(2-fluoroethyl)-4-hydroxyoxolan-3-yl]carbamate (CID 69110758) is tert-butyl N-[(2S,3R,4R)-2-(2-fluoroethyl)-4-hydroxyoxolan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3R,4R)-2-(2-fluoroethyl)-4-hydroxyoxolan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3R,4R)-2-(2-fluoroethyl)-4-hydroxyoxolan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1[C@H](CCF)OC[C@@H]1O.
What is the InChIKey of tert-butyl N-[(2S,3R,4R)-2-(2-fluoroethyl)-4-hydroxyoxolan-3-yl]carbamate?
The InChIKey is QMOQFHMCJWUXNI-XHNCKOQMSA-N. The full InChI is InChI=1S/C11H20FNO4/c1-11(2,3)17-10(15)13-9-7(14)6-16-8(9)4-5-12/h7-9,14H,4-6H2,1-3H3,(H,13,15)/t7-,8-,9+/m0/s1.
What are the key properties of tert-butyl N-[(2S,3R,4R)-2-(2-fluoroethyl)-4-hydroxyoxolan-3-yl]carbamate?
tert-butyl N-[(2S,3R,4R)-2-(2-fluoroethyl)-4-hydroxyoxolan-3-yl]carbamate has a molecular weight of 249.28 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3R,4R)-2-(2-fluoroethyl)-4-hydroxyoxolan-3-yl]carbamate is sourced from PubChem (CID 69110758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).