[2-(2-fluorophenyl)-2-oxoethyl] N-propan-2-ylcarbamate

C12H14FNO3 — CID 67556105

IUPAC[2-(2-fluorophenyl)-2-oxoethyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCC(=O)c1ccccc1F
InChIInChI=1S/C12H14FNO3/c1-8(2)14-12(16)17-7-11(15)9-5-3-4-6-10(9)13/h3-6,8H,7H2,1-2H3,(H,14,16)
InChIKeyJKBNJODEYBTVGC-UHFFFAOYSA-N
MW239.25 g/mol
LogP2.14
Rot. Bonds4

About [2-(2-fluorophenyl)-2-oxoethyl] N-propan-2-ylcarbamate

[2-(2-fluorophenyl)-2-oxoethyl] N-propan-2-ylcarbamate (PubChem CID 67556105) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is [2-(2-fluorophenyl)-2-oxoethyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[2-(2-fluorophenyl)-2-oxoethyl] N-propan-2-ylcarbamate
PubChem CID67556105
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name[2-(2-fluorophenyl)-2-oxoethyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCC(=O)c1ccccc1F
InChIInChI=1S/C12H14FNO3/c1-8(2)14-12(16)17-7-11(15)9-5-3-4-6-10(9)13/h3-6,8H,7H2,1-2H3,(H,14,16)
InChIKeyJKBNJODEYBTVGC-UHFFFAOYSA-N
XLogP2.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)-2-oxoethyl] N-propan-2-ylcarbamate?
The IUPAC name of [2-(2-fluorophenyl)-2-oxoethyl] N-propan-2-ylcarbamate (CID 67556105) is [2-(2-fluorophenyl)-2-oxoethyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [2-(2-fluorophenyl)-2-oxoethyl] N-propan-2-ylcarbamate?
The canonical SMILES for [2-(2-fluorophenyl)-2-oxoethyl] N-propan-2-ylcarbamate is CC(C)NC(=O)OCC(=O)c1ccccc1F.
What is the InChIKey of [2-(2-fluorophenyl)-2-oxoethyl] N-propan-2-ylcarbamate?
The InChIKey is JKBNJODEYBTVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-8(2)14-12(16)17-7-11(15)9-5-3-4-6-10(9)13/h3-6,8H,7H2,1-2H3,(H,14,16).
What are the key properties of [2-(2-fluorophenyl)-2-oxoethyl] N-propan-2-ylcarbamate?
[2-(2-fluorophenyl)-2-oxoethyl] N-propan-2-ylcarbamate has a molecular weight of 239.25 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)-2-oxoethyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 67556105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).