tert-butyl N-[2-[(2S)-3-fluorobutan-2-yl]oxyethyl]-N-methylcarbamate

C12H24FNO3 — CID 174014013

IUPACtert-butyl N-[2-[(2S)-3-fluorobutan-2-yl]oxyethyl]-N-methylcarbamate
SMILESCC(F)[C@H](C)OCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H24FNO3/c1-9(13)10(2)16-8-7-14(6)11(15)17-12(3,4)5/h9-10H,7-8H2,1-6H3/t9?,10-/m0/s1
InChIKeyGLUIXIDMXXWUSL-AXDSSHIGSA-N
MW249.33 g/mol
LogP2.62
Rot. Bonds5

About tert-butyl N-[2-[(2S)-3-fluorobutan-2-yl]oxyethyl]-N-methylcarbamate

tert-butyl N-[2-[(2S)-3-fluorobutan-2-yl]oxyethyl]-N-methylcarbamate (PubChem CID 174014013) has the molecular formula C12H24FNO3 and a molecular weight of 249.33 g/mol. Its IUPAC name is tert-butyl N-[2-[(2S)-3-fluorobutan-2-yl]oxyethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2S)-3-fluorobutan-2-yl]oxyethyl]-N-methylcarbamate
PubChem CID174014013
Molecular FormulaC12H24FNO3
Molecular Weight249.33 g/mol
Exact Mass249.17
IUPAC Nametert-butyl N-[2-[(2S)-3-fluorobutan-2-yl]oxyethyl]-N-methylcarbamate
SMILESCC(F)[C@H](C)OCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H24FNO3/c1-9(13)10(2)16-8-7-14(6)11(15)17-12(3,4)5/h9-10H,7-8H2,1-6H3/t9?,10-/m0/s1
InChIKeyGLUIXIDMXXWUSL-AXDSSHIGSA-N
XLogP2.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2S)-3-fluorobutan-2-yl]oxyethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[(2S)-3-fluorobutan-2-yl]oxyethyl]-N-methylcarbamate (CID 174014013) is tert-butyl N-[2-[(2S)-3-fluorobutan-2-yl]oxyethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[(2S)-3-fluorobutan-2-yl]oxyethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[(2S)-3-fluorobutan-2-yl]oxyethyl]-N-methylcarbamate is CC(F)[C@H](C)OCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(2S)-3-fluorobutan-2-yl]oxyethyl]-N-methylcarbamate?
The InChIKey is GLUIXIDMXXWUSL-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H24FNO3/c1-9(13)10(2)16-8-7-14(6)11(15)17-12(3,4)5/h9-10H,7-8H2,1-6H3/t9?,10-/m0/s1.
What are the key properties of tert-butyl N-[2-[(2S)-3-fluorobutan-2-yl]oxyethyl]-N-methylcarbamate?
tert-butyl N-[2-[(2S)-3-fluorobutan-2-yl]oxyethyl]-N-methylcarbamate has a molecular weight of 249.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2S)-3-fluorobutan-2-yl]oxyethyl]-N-methylcarbamate is sourced from PubChem (CID 174014013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).