benzyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate

C18H18FNO3 — CID 164672362

IUPACbenzyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate
SMILESO=C(OCc1ccccc1)N1CCO[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C18H18FNO3/c19-16-8-6-15(7-9-16)17-12-20(10-11-22-17)18(21)23-13-14-4-2-1-3-5-14/h1-9,17H,10-13H2/t17-/m0/s1
InChIKeyPKJDPMOYJYNTMT-KRWDZBQOSA-N
MW315.34 g/mol
LogP3.54
Rot. Bonds3

About benzyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate

benzyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate (PubChem CID 164672362) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is benzyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate
PubChem CID164672362
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Namebenzyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate
SMILESO=C(OCc1ccccc1)N1CCO[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C18H18FNO3/c19-16-8-6-15(7-9-16)17-12-20(10-11-22-17)18(21)23-13-14-4-2-1-3-5-14/h1-9,17H,10-13H2/t17-/m0/s1
InChIKeyPKJDPMOYJYNTMT-KRWDZBQOSA-N
XLogP3.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate?
The IUPAC name of benzyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate (CID 164672362) is benzyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate.
What is the SMILES notation for benzyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate?
The canonical SMILES for benzyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate is O=C(OCc1ccccc1)N1CCO[C@H](c2ccc(F)cc2)C1.
What is the InChIKey of benzyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate?
The InChIKey is PKJDPMOYJYNTMT-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18FNO3/c19-16-8-6-15(7-9-16)17-12-20(10-11-22-17)18(21)23-13-14-4-2-1-3-5-14/h1-9,17H,10-13H2/t17-/m0/s1.
What are the key properties of benzyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate?
benzyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate has a molecular weight of 315.34 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate is sourced from PubChem (CID 164672362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).