[2-fluoro-2-(3-hydroxyoxetan-3-yl)ethyl] N-tert-butylcarbamate

C10H18FNO4 — CID 142733173

IUPAC[2-fluoro-2-(3-hydroxyoxetan-3-yl)ethyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCC(F)C1(O)COC1
InChIInChI=1S/C10H18FNO4/c1-9(2,3)12-8(13)16-4-7(11)10(14)5-15-6-10/h7,14H,4-6H2,1-3H3,(H,12,13)
InChIKeyVHSMWURBVWUYEN-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.61
Rot. Bonds3

About [2-fluoro-2-(3-hydroxyoxetan-3-yl)ethyl] N-tert-butylcarbamate

[2-fluoro-2-(3-hydroxyoxetan-3-yl)ethyl] N-tert-butylcarbamate (PubChem CID 142733173) has the molecular formula C10H18FNO4 and a molecular weight of 235.25 g/mol. Its IUPAC name is [2-fluoro-2-(3-hydroxyoxetan-3-yl)ethyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[2-fluoro-2-(3-hydroxyoxetan-3-yl)ethyl] N-tert-butylcarbamate
PubChem CID142733173
Molecular FormulaC10H18FNO4
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name[2-fluoro-2-(3-hydroxyoxetan-3-yl)ethyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCC(F)C1(O)COC1
InChIInChI=1S/C10H18FNO4/c1-9(2,3)12-8(13)16-4-7(11)10(14)5-15-6-10/h7,14H,4-6H2,1-3H3,(H,12,13)
InChIKeyVHSMWURBVWUYEN-UHFFFAOYSA-N
XLogP0.61
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-fluoro-3-hydroxy-3-methylbutyl] N-tert-butylcarbamate
CID 142733178
[3-fluoro-1-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate
CID 174666913
(1,3-dihydroxy-3-methylbutan-2-yl) N-tert-butylcarbamate
CID 140875404
[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl] N-tert-butylcarbamate
CID 142755204
(1,3-dihydroxy-2-methylpropan-2-yl) N-tert-butylcarbamate
CID 145746889
[(2R)-1,3-dihydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate
CID 175320906
(2-hydroxy-2-methylbutyl) N-tert-butylcarbamate
CID 177178404

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-2-(3-hydroxyoxetan-3-yl)ethyl] N-tert-butylcarbamate?
The IUPAC name of [2-fluoro-2-(3-hydroxyoxetan-3-yl)ethyl] N-tert-butylcarbamate (CID 142733173) is [2-fluoro-2-(3-hydroxyoxetan-3-yl)ethyl] N-tert-butylcarbamate.
What is the SMILES notation for [2-fluoro-2-(3-hydroxyoxetan-3-yl)ethyl] N-tert-butylcarbamate?
The canonical SMILES for [2-fluoro-2-(3-hydroxyoxetan-3-yl)ethyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OCC(F)C1(O)COC1.
What is the InChIKey of [2-fluoro-2-(3-hydroxyoxetan-3-yl)ethyl] N-tert-butylcarbamate?
The InChIKey is VHSMWURBVWUYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO4/c1-9(2,3)12-8(13)16-4-7(11)10(14)5-15-6-10/h7,14H,4-6H2,1-3H3,(H,12,13).
What are the key properties of [2-fluoro-2-(3-hydroxyoxetan-3-yl)ethyl] N-tert-butylcarbamate?
[2-fluoro-2-(3-hydroxyoxetan-3-yl)ethyl] N-tert-butylcarbamate has a molecular weight of 235.25 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-2-(3-hydroxyoxetan-3-yl)ethyl] N-tert-butylcarbamate is sourced from PubChem (CID 142733173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).