2-morpholin-4-ylethyl 3-fluorobenzoate;hydrochloride

C13H17ClFNO3 — CID 2908677

IUPAC2-morpholin-4-ylethyl 3-fluorobenzoate;hydrochloride
SMILESCl.O=C(OCCN1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C13H16FNO3.ClH/c14-12-3-1-2-11(10-12)13(16)18-9-6-15-4-7-17-8-5-15;/h1-3,10H,4-9H2;1H
InChIKeyNHEYOZHTMQOMTP-UHFFFAOYSA-N
MW289.73 g/mol
LogP1.74
Rot. Bonds4

About 2-morpholin-4-ylethyl 3-fluorobenzoate;hydrochloride

2-morpholin-4-ylethyl 3-fluorobenzoate;hydrochloride (PubChem CID 2908677) has the molecular formula C13H17ClFNO3 and a molecular weight of 289.73 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 3-fluorobenzoate;hydrochloride.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 3-fluorobenzoate;hydrochloride
PubChem CID2908677
Molecular FormulaC13H17ClFNO3
Molecular Weight289.73 g/mol
Exact Mass289.09
IUPAC Name2-morpholin-4-ylethyl 3-fluorobenzoate;hydrochloride
SMILESCl.O=C(OCCN1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C13H16FNO3.ClH/c14-12-3-1-2-11(10-12)13(16)18-9-6-15-4-7-17-8-5-15;/h1-3,10H,4-9H2;1H
InChIKeyNHEYOZHTMQOMTP-UHFFFAOYSA-N
XLogP1.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 3-fluorobenzoate;hydrochloride?
The IUPAC name of 2-morpholin-4-ylethyl 3-fluorobenzoate;hydrochloride (CID 2908677) is 2-morpholin-4-ylethyl 3-fluorobenzoate;hydrochloride.
What is the SMILES notation for 2-morpholin-4-ylethyl 3-fluorobenzoate;hydrochloride?
The canonical SMILES for 2-morpholin-4-ylethyl 3-fluorobenzoate;hydrochloride is Cl.O=C(OCCN1CCOCC1)c1cccc(F)c1.
What is the InChIKey of 2-morpholin-4-ylethyl 3-fluorobenzoate;hydrochloride?
The InChIKey is NHEYOZHTMQOMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3.ClH/c14-12-3-1-2-11(10-12)13(16)18-9-6-15-4-7-17-8-5-15;/h1-3,10H,4-9H2;1H.
What are the key properties of 2-morpholin-4-ylethyl 3-fluorobenzoate;hydrochloride?
2-morpholin-4-ylethyl 3-fluorobenzoate;hydrochloride has a molecular weight of 289.73 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 3-fluorobenzoate;hydrochloride is sourced from PubChem (CID 2908677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).