[(2R)-2-fluoro-3-hydroxy-3-methylbutyl] N-tert-butylcarbamate

C10H20FNO3 — CID 142733178

IUPAC[(2R)-2-fluoro-3-hydroxy-3-methylbutyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC[C@@H](F)C(C)(C)O
InChIInChI=1S/C10H20FNO3/c1-9(2,3)12-8(13)15-6-7(11)10(4,5)14/h7,14H,6H2,1-5H3,(H,12,13)/t7-/m1/s1
InChIKeyZCAOWAJVTGYPFT-SSDOTTSWSA-N
MW221.27 g/mol
LogP1.62
Rot. Bonds3

About [(2R)-2-fluoro-3-hydroxy-3-methylbutyl] N-tert-butylcarbamate

[(2R)-2-fluoro-3-hydroxy-3-methylbutyl] N-tert-butylcarbamate (PubChem CID 142733178) has the molecular formula C10H20FNO3 and a molecular weight of 221.27 g/mol. Its IUPAC name is [(2R)-2-fluoro-3-hydroxy-3-methylbutyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(2R)-2-fluoro-3-hydroxy-3-methylbutyl] N-tert-butylcarbamate
PubChem CID142733178
Molecular FormulaC10H20FNO3
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name[(2R)-2-fluoro-3-hydroxy-3-methylbutyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC[C@@H](F)C(C)(C)O
InChIInChI=1S/C10H20FNO3/c1-9(2,3)12-8(13)15-6-7(11)10(4,5)14/h7,14H,6H2,1-5H3,(H,12,13)/t7-/m1/s1
InChIKeyZCAOWAJVTGYPFT-SSDOTTSWSA-N
XLogP1.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-fluoro-3-hydroxy-3-methylbutyl] N-tert-butylcarbamate?
The IUPAC name of [(2R)-2-fluoro-3-hydroxy-3-methylbutyl] N-tert-butylcarbamate (CID 142733178) is [(2R)-2-fluoro-3-hydroxy-3-methylbutyl] N-tert-butylcarbamate.
What is the SMILES notation for [(2R)-2-fluoro-3-hydroxy-3-methylbutyl] N-tert-butylcarbamate?
The canonical SMILES for [(2R)-2-fluoro-3-hydroxy-3-methylbutyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC[C@@H](F)C(C)(C)O.
What is the InChIKey of [(2R)-2-fluoro-3-hydroxy-3-methylbutyl] N-tert-butylcarbamate?
The InChIKey is ZCAOWAJVTGYPFT-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H20FNO3/c1-9(2,3)12-8(13)15-6-7(11)10(4,5)14/h7,14H,6H2,1-5H3,(H,12,13)/t7-/m1/s1.
What are the key properties of [(2R)-2-fluoro-3-hydroxy-3-methylbutyl] N-tert-butylcarbamate?
[(2R)-2-fluoro-3-hydroxy-3-methylbutyl] N-tert-butylcarbamate has a molecular weight of 221.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-fluoro-3-hydroxy-3-methylbutyl] N-tert-butylcarbamate is sourced from PubChem (CID 142733178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).