tert-butyl N-(4-fluorobenzoyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C17H22FNO5 — CID 139125873

IUPACtert-butyl N-(4-fluorobenzoyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H22FNO5/c1-16(2,3)23-14(21)19(15(22)24-17(4,5)6)13(20)11-7-9-12(18)10-8-11/h7-10H,1-6H3
InChIKeyTZXMZYTUVFUSJX-UHFFFAOYSA-N
MW339.36 g/mol
LogP4.14
Rot. Bonds1

About tert-butyl N-(4-fluorobenzoyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-(4-fluorobenzoyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 139125873) has the molecular formula C17H22FNO5 and a molecular weight of 339.36 g/mol. Its IUPAC name is tert-butyl N-(4-fluorobenzoyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-fluorobenzoyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID139125873
Molecular FormulaC17H22FNO5
Molecular Weight339.36 g/mol
Exact Mass339.15
IUPAC Nametert-butyl N-(4-fluorobenzoyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H22FNO5/c1-16(2,3)23-14(21)19(15(22)24-17(4,5)6)13(20)11-7-9-12(18)10-8-11/h7-10H,1-6H3
InChIKeyTZXMZYTUVFUSJX-UHFFFAOYSA-N
XLogP4.14
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-fluorobenzoyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-(4-fluorobenzoyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 139125873) is tert-butyl N-(4-fluorobenzoyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-(4-fluorobenzoyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-(4-fluorobenzoyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C(=O)c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-(4-fluorobenzoyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is TZXMZYTUVFUSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO5/c1-16(2,3)23-14(21)19(15(22)24-17(4,5)6)13(20)11-7-9-12(18)10-8-11/h7-10H,1-6H3.
What are the key properties of tert-butyl N-(4-fluorobenzoyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-(4-fluorobenzoyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 339.36 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-fluorobenzoyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 139125873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).