[1-(2-chlorophenyl)-1-fluorooxypropan-2-yl] N-cyclohexylcarbamate

C16H21ClFNO3 — CID 144705795

IUPAC[1-(2-chlorophenyl)-1-fluorooxypropan-2-yl] N-cyclohexylcarbamate
SMILESCC(OC(=O)NC1CCCCC1)C(OF)c1ccccc1Cl
InChIInChI=1S/C16H21ClFNO3/c1-11(15(22-18)13-9-5-6-10-14(13)17)21-16(20)19-12-7-3-2-4-8-12/h5-6,9-12,15H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyNWWKJQVGFUOHMH-UHFFFAOYSA-N
MW329.80 g/mol
LogP4.73
Rot. Bonds5

About [1-(2-chlorophenyl)-1-fluorooxypropan-2-yl] N-cyclohexylcarbamate

[1-(2-chlorophenyl)-1-fluorooxypropan-2-yl] N-cyclohexylcarbamate (PubChem CID 144705795) has the molecular formula C16H21ClFNO3 and a molecular weight of 329.80 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-1-fluorooxypropan-2-yl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-1-fluorooxypropan-2-yl] N-cyclohexylcarbamate
PubChem CID144705795
Molecular FormulaC16H21ClFNO3
Molecular Weight329.80 g/mol
Exact Mass329.12
IUPAC Name[1-(2-chlorophenyl)-1-fluorooxypropan-2-yl] N-cyclohexylcarbamate
SMILESCC(OC(=O)NC1CCCCC1)C(OF)c1ccccc1Cl
InChIInChI=1S/C16H21ClFNO3/c1-11(15(22-18)13-9-5-6-10-14(13)17)21-16(20)19-12-7-3-2-4-8-12/h5-6,9-12,15H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyNWWKJQVGFUOHMH-UHFFFAOYSA-N
XLogP4.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.80
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-1-fluorooxypropan-2-yl] N-cyclohexylcarbamate?
The IUPAC name of [1-(2-chlorophenyl)-1-fluorooxypropan-2-yl] N-cyclohexylcarbamate (CID 144705795) is [1-(2-chlorophenyl)-1-fluorooxypropan-2-yl] N-cyclohexylcarbamate.
What is the SMILES notation for [1-(2-chlorophenyl)-1-fluorooxypropan-2-yl] N-cyclohexylcarbamate?
The canonical SMILES for [1-(2-chlorophenyl)-1-fluorooxypropan-2-yl] N-cyclohexylcarbamate is CC(OC(=O)NC1CCCCC1)C(OF)c1ccccc1Cl.
What is the InChIKey of [1-(2-chlorophenyl)-1-fluorooxypropan-2-yl] N-cyclohexylcarbamate?
The InChIKey is NWWKJQVGFUOHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFNO3/c1-11(15(22-18)13-9-5-6-10-14(13)17)21-16(20)19-12-7-3-2-4-8-12/h5-6,9-12,15H,2-4,7-8H2,1H3,(H,19,20).
What are the key properties of [1-(2-chlorophenyl)-1-fluorooxypropan-2-yl] N-cyclohexylcarbamate?
[1-(2-chlorophenyl)-1-fluorooxypropan-2-yl] N-cyclohexylcarbamate has a molecular weight of 329.80 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-1-fluorooxypropan-2-yl] N-cyclohexylcarbamate is sourced from PubChem (CID 144705795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).