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

C14H18FNO3 — CID 844339

IUPAC[(2S)-1-morpholin-4-ylpropan-2-yl] 2-fluorobenzoate
SMILESC[C@@H](CN1CCOCC1)OC(=O)c1ccccc1F
InChIInChI=1S/C14H18FNO3/c1-11(10-16-6-8-18-9-7-16)19-14(17)12-4-2-3-5-13(12)15/h2-5,11H,6-10H2,1H3/t11-/m0/s1
InChIKeyKOANMUPCOMWVDB-NSHDSACASA-N
MW267.30 g/mol
LogP1.70
Rot. Bonds4

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

[(2S)-1-morpholin-4-ylpropan-2-yl] 2-fluorobenzoate (PubChem CID 844339) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is [(2S)-1-morpholin-4-ylpropan-2-yl] 2-fluorobenzoate.

Molecular Properties

Compound Name[(2S)-1-morpholin-4-ylpropan-2-yl] 2-fluorobenzoate
PubChem CID844339
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name[(2S)-1-morpholin-4-ylpropan-2-yl] 2-fluorobenzoate
SMILESC[C@@H](CN1CCOCC1)OC(=O)c1ccccc1F
InChIInChI=1S/C14H18FNO3/c1-11(10-16-6-8-18-9-7-16)19-14(17)12-4-2-3-5-13(12)15/h2-5,11H,6-10H2,1H3/t11-/m0/s1
InChIKeyKOANMUPCOMWVDB-NSHDSACASA-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 2-chlorobenzoate;hydrochloride
CID 2913162
1-morpholin-4-ylpropan-2-yl 2-methylbenzoate chloride
CID 53347672
1-(2-fluorophenyl)-2-methyl-3-morpholin-4-ylpropan-1-one
CID 13422049
[(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate
CID 844363
1-morpholin-4-ylpropan-2-yl 2,4-dimethylbenzoate
CID 75399143
[(2S)-1-pyrrolidin-1-ylpropan-2-yl] 2-chlorobenzoate
CID 755745
1-morpholin-4-ylpropan-2-yl 3-phenylbenzoate
CID 123332358
1-morpholin-4-ylpropan-2-yl 4-tert-butylbenzoate
CID 3151287
[(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate
CID 807409
1-piperidin-1-ylpropan-2-yl 2-methylbenzoate
CID 2928894
1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride
CID 53352536
1-morpholin-4-ylpropan-2-yl 3-methoxybenzoate
CID 2913104

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-morpholin-4-ylpropan-2-yl] 2-fluorobenzoate?
The IUPAC name of [(2S)-1-morpholin-4-ylpropan-2-yl] 2-fluorobenzoate (CID 844339) is [(2S)-1-morpholin-4-ylpropan-2-yl] 2-fluorobenzoate.
What is the SMILES notation for [(2S)-1-morpholin-4-ylpropan-2-yl] 2-fluorobenzoate?
The canonical SMILES for [(2S)-1-morpholin-4-ylpropan-2-yl] 2-fluorobenzoate is C[C@@H](CN1CCOCC1)OC(=O)c1ccccc1F.
What is the InChIKey of [(2S)-1-morpholin-4-ylpropan-2-yl] 2-fluorobenzoate?
The InChIKey is KOANMUPCOMWVDB-NSHDSACASA-N. The full InChI is InChI=1S/C14H18FNO3/c1-11(10-16-6-8-18-9-7-16)19-14(17)12-4-2-3-5-13(12)15/h2-5,11H,6-10H2,1H3/t11-/m0/s1.
What are the key properties of [(2S)-1-morpholin-4-ylpropan-2-yl] 2-fluorobenzoate?
[(2S)-1-morpholin-4-ylpropan-2-yl] 2-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 [(2S)-1-morpholin-4-ylpropan-2-yl] 2-fluorobenzoate is sourced from PubChem (CID 844339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).