(2-morpholin-4-yl-2-oxoethyl) 3-fluorobenzoate

C13H14FNO4 — CID 2490334

IUPAC(2-morpholin-4-yl-2-oxoethyl) 3-fluorobenzoate
SMILESO=C(OCC(=O)N1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C13H14FNO4/c14-11-3-1-2-10(8-11)13(17)19-9-12(16)15-4-6-18-7-5-15/h1-3,8H,4-7,9H2
InChIKeyVENAVNSFAMZRRX-UHFFFAOYSA-N
MW267.26 g/mol
LogP0.84
Rot. Bonds3

About (2-morpholin-4-yl-2-oxoethyl) 3-fluorobenzoate

(2-morpholin-4-yl-2-oxoethyl) 3-fluorobenzoate (PubChem CID 2490334) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 3-fluorobenzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 3-fluorobenzoate
PubChem CID2490334
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 3-fluorobenzoate
SMILESO=C(OCC(=O)N1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C13H14FNO4/c14-11-3-1-2-10(8-11)13(17)19-9-12(16)15-4-6-18-7-5-15/h1-3,8H,4-7,9H2
InChIKeyVENAVNSFAMZRRX-UHFFFAOYSA-N
XLogP0.84
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 3-fluorobenzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 3-fluorobenzoate (CID 2490334) is (2-morpholin-4-yl-2-oxoethyl) 3-fluorobenzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 3-fluorobenzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 3-fluorobenzoate is O=C(OCC(=O)N1CCOCC1)c1cccc(F)c1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 3-fluorobenzoate?
The InChIKey is VENAVNSFAMZRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4/c14-11-3-1-2-10(8-11)13(17)19-9-12(16)15-4-6-18-7-5-15/h1-3,8H,4-7,9H2.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 3-fluorobenzoate?
(2-morpholin-4-yl-2-oxoethyl) 3-fluorobenzoate has a molecular weight of 267.26 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 3-fluorobenzoate is sourced from PubChem (CID 2490334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).