tert-butyl N-(2-acetyl-6-fluorophenyl)carbamate

C13H16FNO3 — CID 53419989

IUPACtert-butyl N-(2-acetyl-6-fluorophenyl)carbamate
SMILESCC(=O)c1cccc(F)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H16FNO3/c1-8(16)9-6-5-7-10(14)11(9)15-12(17)18-13(2,3)4/h5-7H,1-4H3,(H,15,17)
InChIKeyCDSHIKKTAUSODK-UHFFFAOYSA-N
MW253.27 g/mol
LogP3.38
Rot. Bonds2

About tert-butyl N-(2-acetyl-6-fluorophenyl)carbamate

tert-butyl N-(2-acetyl-6-fluorophenyl)carbamate (PubChem CID 53419989) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is tert-butyl N-(2-acetyl-6-fluorophenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-acetyl-6-fluorophenyl)carbamate
PubChem CID53419989
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Nametert-butyl N-(2-acetyl-6-fluorophenyl)carbamate
SMILESCC(=O)c1cccc(F)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H16FNO3/c1-8(16)9-6-5-7-10(14)11(9)15-12(17)18-13(2,3)4/h5-7H,1-4H3,(H,15,17)
InChIKeyCDSHIKKTAUSODK-UHFFFAOYSA-N
XLogP3.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-acetyl-6-fluorophenyl)carbamate?
The IUPAC name of tert-butyl N-(2-acetyl-6-fluorophenyl)carbamate (CID 53419989) is tert-butyl N-(2-acetyl-6-fluorophenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-acetyl-6-fluorophenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-acetyl-6-fluorophenyl)carbamate is CC(=O)c1cccc(F)c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-acetyl-6-fluorophenyl)carbamate?
The InChIKey is CDSHIKKTAUSODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-8(16)9-6-5-7-10(14)11(9)15-12(17)18-13(2,3)4/h5-7H,1-4H3,(H,15,17).
What are the key properties of tert-butyl N-(2-acetyl-6-fluorophenyl)carbamate?
tert-butyl N-(2-acetyl-6-fluorophenyl)carbamate has a molecular weight of 253.27 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-acetyl-6-fluorophenyl)carbamate is sourced from PubChem (CID 53419989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).