tert-butyl N-(2-fluoro-2-oxoethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C12H20FNO5 — CID 15037819

IUPACtert-butyl N-(2-fluoro-2-oxoethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(CC(=O)F)C(=O)OC(C)(C)C
InChIInChI=1S/C12H20FNO5/c1-11(2,3)18-9(16)14(7-8(13)15)10(17)19-12(4,5)6/h7H2,1-6H3
InChIKeyYKYZKLMTYLAQMH-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.65
Rot. Bonds2

About tert-butyl N-(2-fluoro-2-oxoethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-(2-fluoro-2-oxoethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 15037819) has the molecular formula C12H20FNO5 and a molecular weight of 277.29 g/mol. Its IUPAC name is tert-butyl N-(2-fluoro-2-oxoethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-fluoro-2-oxoethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID15037819
Molecular FormulaC12H20FNO5
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Nametert-butyl N-(2-fluoro-2-oxoethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(CC(=O)F)C(=O)OC(C)(C)C
InChIInChI=1S/C12H20FNO5/c1-11(2,3)18-9(16)14(7-8(13)15)10(17)19-12(4,5)6/h7H2,1-6H3
InChIKeyYKYZKLMTYLAQMH-UHFFFAOYSA-N
XLogP2.65
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-fluoro-2-oxoethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-(2-fluoro-2-oxoethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 15037819) is tert-butyl N-(2-fluoro-2-oxoethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-(2-fluoro-2-oxoethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-(2-fluoro-2-oxoethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(C)(C)OC(=O)N(CC(=O)F)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-fluoro-2-oxoethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is YKYZKLMTYLAQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO5/c1-11(2,3)18-9(16)14(7-8(13)15)10(17)19-12(4,5)6/h7H2,1-6H3.
What are the key properties of tert-butyl N-(2-fluoro-2-oxoethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-(2-fluoro-2-oxoethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 277.29 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-fluoro-2-oxoethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 15037819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).