tert-butyl N-(2-fluoro-3-hydroxy-2-methylpropyl)-N-methylcarbamate

C10H20FNO3 — CID 105477575

IUPACtert-butyl N-(2-fluoro-3-hydroxy-2-methylpropyl)-N-methylcarbamate
SMILESCN(CC(C)(F)CO)C(=O)OC(C)(C)C
InChIInChI=1S/C10H20FNO3/c1-9(2,3)15-8(14)12(5)6-10(4,11)7-13/h13H,6-7H2,1-5H3
InChIKeyZVEDRSCKENQXDB-UHFFFAOYSA-N
MW221.27 g/mol
LogP1.57
Rot. Bonds3

About tert-butyl N-(2-fluoro-3-hydroxy-2-methylpropyl)-N-methylcarbamate

tert-butyl N-(2-fluoro-3-hydroxy-2-methylpropyl)-N-methylcarbamate (PubChem CID 105477575) has the molecular formula C10H20FNO3 and a molecular weight of 221.27 g/mol. Its IUPAC name is tert-butyl N-(2-fluoro-3-hydroxy-2-methylpropyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-fluoro-3-hydroxy-2-methylpropyl)-N-methylcarbamate
PubChem CID105477575
Molecular FormulaC10H20FNO3
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Nametert-butyl N-(2-fluoro-3-hydroxy-2-methylpropyl)-N-methylcarbamate
SMILESCN(CC(C)(F)CO)C(=O)OC(C)(C)C
InChIInChI=1S/C10H20FNO3/c1-9(2,3)15-8(14)12(5)6-10(4,11)7-13/h13H,6-7H2,1-5H3
InChIKeyZVEDRSCKENQXDB-UHFFFAOYSA-N
XLogP1.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-fluoro-3-hydroxy-2-methylpropyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(2-fluoro-3-hydroxy-2-methylpropyl)-N-methylcarbamate (CID 105477575) is tert-butyl N-(2-fluoro-3-hydroxy-2-methylpropyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(2-fluoro-3-hydroxy-2-methylpropyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(2-fluoro-3-hydroxy-2-methylpropyl)-N-methylcarbamate is CN(CC(C)(F)CO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-fluoro-3-hydroxy-2-methylpropyl)-N-methylcarbamate?
The InChIKey is ZVEDRSCKENQXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO3/c1-9(2,3)15-8(14)12(5)6-10(4,11)7-13/h13H,6-7H2,1-5H3.
What are the key properties of tert-butyl N-(2-fluoro-3-hydroxy-2-methylpropyl)-N-methylcarbamate?
tert-butyl N-(2-fluoro-3-hydroxy-2-methylpropyl)-N-methylcarbamate has a molecular weight of 221.27 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-fluoro-3-hydroxy-2-methylpropyl)-N-methylcarbamate is sourced from PubChem (CID 105477575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).