[(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate

C14H18FNO3 — CID 844363

IUPAC[(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate
SMILESC[C@H](CN1CCOCC1)OC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c1-11(10-16-6-8-18-9-7-16)19-14(17)12-2-4-13(15)5-3-12/h2-5,11H,6-10H2,1H3/t11-/m1/s1
InChIKeyOYBGNKITNQSACP-LLVKDONJSA-N
MW267.30 g/mol
LogP1.70
Rot. Bonds4

About [(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate

[(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate (PubChem CID 844363) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is [(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate.

Molecular Properties

Compound Name[(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate
PubChem CID844363
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name[(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate
SMILESC[C@H](CN1CCOCC1)OC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c1-11(10-16-6-8-18-9-7-16)19-14(17)12-2-4-13(15)5-3-12/h2-5,11H,6-10H2,1H3/t11-/m1/s1
InChIKeyOYBGNKITNQSACP-LLVKDONJSA-N
XLogP1.70
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-morpholin-4-ylpropan-2-yl 4-tert-butylbenzoate
CID 3151287
[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl] 4-fluorobenzoate
CID 755785
1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride
CID 53352536
1-morpholin-4-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 654982
1-morpholin-4-ylpropan-2-yl 2-(4-fluorophenoxy)acetate
CID 649208
[(2S)-1-morpholin-4-ylpropan-2-yl] 2-fluorobenzoate
CID 844339
1-morpholin-4-ylpropan-2-yl 3,4-dimethoxybenzoate chloride
CID 53312685
[(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate
CID 807409
1-morpholin-4-ylpropan-2-yl 3-phenylbenzoate
CID 123332358
1-morpholin-4-ylpropan-2-yl 3-methoxybenzoate
CID 2913104
1-morpholin-4-ylpropan-2-yl 5-bromofuran-3-carboxylate
CID 84600441
1-morpholin-4-ylpropan-2-yl 2,4-dimethylbenzoate
CID 75399143

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate?
The IUPAC name of [(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate (CID 844363) is [(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate.
What is the SMILES notation for [(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate?
The canonical SMILES for [(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate is C[C@H](CN1CCOCC1)OC(=O)c1ccc(F)cc1.
What is the InChIKey of [(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate?
The InChIKey is OYBGNKITNQSACP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-11(10-16-6-8-18-9-7-16)19-14(17)12-2-4-13(15)5-3-12/h2-5,11H,6-10H2,1H3/t11-/m1/s1.
What are the key properties of [(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate?
[(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate has a molecular weight of 267.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate is sourced from PubChem (CID 844363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).