tert-butyl N-(2-fluoroprop-2-enyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C13H22FNO4 — CID 135072058

IUPACtert-butyl N-(2-fluoroprop-2-enyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESC=C(F)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H22FNO4/c1-9(14)8-15(10(16)18-12(2,3)4)11(17)19-13(5,6)7/h1,8H2,2-7H3
InChIKeySRKDUAUZHDITRM-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.64
Rot. Bonds2

About tert-butyl N-(2-fluoroprop-2-enyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-(2-fluoroprop-2-enyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 135072058) has the molecular formula C13H22FNO4 and a molecular weight of 275.32 g/mol. Its IUPAC name is tert-butyl N-(2-fluoroprop-2-enyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-fluoroprop-2-enyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID135072058
Molecular FormulaC13H22FNO4
Molecular Weight275.32 g/mol
Exact Mass275.15
IUPAC Nametert-butyl N-(2-fluoroprop-2-enyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESC=C(F)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H22FNO4/c1-9(14)8-15(10(16)18-12(2,3)4)11(17)19-13(5,6)7/h1,8H2,2-7H3
InChIKeySRKDUAUZHDITRM-UHFFFAOYSA-N
XLogP3.64
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-fluoroprop-2-enyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-(2-fluoroprop-2-enyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 135072058) is tert-butyl N-(2-fluoroprop-2-enyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-(2-fluoroprop-2-enyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-(2-fluoroprop-2-enyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is C=C(F)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-fluoroprop-2-enyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is SRKDUAUZHDITRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FNO4/c1-9(14)8-15(10(16)18-12(2,3)4)11(17)19-13(5,6)7/h1,8H2,2-7H3.
What are the key properties of tert-butyl N-(2-fluoroprop-2-enyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-(2-fluoroprop-2-enyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 275.32 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-fluoroprop-2-enyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 135072058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).