tert-butyl N-(2-fluoro-3-oxobutyl)-N-methylcarbamate

C10H18FNO3 — CID 123755000

IUPACtert-butyl N-(2-fluoro-3-oxobutyl)-N-methylcarbamate
SMILESCC(=O)C(F)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H18FNO3/c1-7(13)8(11)6-12(5)9(14)15-10(2,3)4/h8H,6H2,1-5H3
InChIKeyIEGHXOCJYDSTRY-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.78
Rot. Bonds3

About tert-butyl N-(2-fluoro-3-oxobutyl)-N-methylcarbamate

tert-butyl N-(2-fluoro-3-oxobutyl)-N-methylcarbamate (PubChem CID 123755000) has the molecular formula C10H18FNO3 and a molecular weight of 219.26 g/mol. Its IUPAC name is tert-butyl N-(2-fluoro-3-oxobutyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-fluoro-3-oxobutyl)-N-methylcarbamate
PubChem CID123755000
Molecular FormulaC10H18FNO3
Molecular Weight219.26 g/mol
Exact Mass219.13
IUPAC Nametert-butyl N-(2-fluoro-3-oxobutyl)-N-methylcarbamate
SMILESCC(=O)C(F)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H18FNO3/c1-7(13)8(11)6-12(5)9(14)15-10(2,3)4/h8H,6H2,1-5H3
InChIKeyIEGHXOCJYDSTRY-UHFFFAOYSA-N
XLogP1.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.78
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-fluoro-3-oxobutyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(2-fluoro-3-oxobutyl)-N-methylcarbamate (CID 123755000) is tert-butyl N-(2-fluoro-3-oxobutyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(2-fluoro-3-oxobutyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(2-fluoro-3-oxobutyl)-N-methylcarbamate is CC(=O)C(F)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-fluoro-3-oxobutyl)-N-methylcarbamate?
The InChIKey is IEGHXOCJYDSTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO3/c1-7(13)8(11)6-12(5)9(14)15-10(2,3)4/h8H,6H2,1-5H3.
What are the key properties of tert-butyl N-(2-fluoro-3-oxobutyl)-N-methylcarbamate?
tert-butyl N-(2-fluoro-3-oxobutyl)-N-methylcarbamate has a molecular weight of 219.26 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-fluoro-3-oxobutyl)-N-methylcarbamate is sourced from PubChem (CID 123755000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).