tert-butyl 2-(3-fluorobenzoyl)morpholine-4-carboxylate

C16H20FNO4 — CID 68598494

IUPACtert-butyl 2-(3-fluorobenzoyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C16H20FNO4/c1-16(2,3)22-15(20)18-7-8-21-13(10-18)14(19)11-5-4-6-12(17)9-11/h4-6,9,13H,7-8,10H2,1-3H3
InChIKeyDKIBGHXANPVXBT-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.64
Rot. Bonds2

About tert-butyl 2-(3-fluorobenzoyl)morpholine-4-carboxylate

tert-butyl 2-(3-fluorobenzoyl)morpholine-4-carboxylate (PubChem CID 68598494) has the molecular formula C16H20FNO4 and a molecular weight of 309.34 g/mol. Its IUPAC name is tert-butyl 2-(3-fluorobenzoyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3-fluorobenzoyl)morpholine-4-carboxylate
PubChem CID68598494
Molecular FormulaC16H20FNO4
Molecular Weight309.34 g/mol
Exact Mass309.14
IUPAC Nametert-butyl 2-(3-fluorobenzoyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C16H20FNO4/c1-16(2,3)22-15(20)18-7-8-21-13(10-18)14(19)11-5-4-6-12(17)9-11/h4-6,9,13H,7-8,10H2,1-3H3
InChIKeyDKIBGHXANPVXBT-UHFFFAOYSA-N
XLogP2.64
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-(2-chloro-3-fluoropyridine-4-carbonyl)morpholine-4-carboxylate
CID 118173490
(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 35549476
lithium (2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 134859282
tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 53255515
tert-butyl 2-[(3-fluoro-4-methylphenyl)carbamoyl]morpholine-4-carboxylate
CID 153400231
tert-butyl 4-(3-fluorophenyl)-3-methylpiperazine-1-carboxylate
CID 166723804
3-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]-3-pyridinyl]benzoic acid
CID 175660676
tert-butyl 2-[(2-chloro-4-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine-4-carboxylate
CID 72634623
tert-butyl (2R)-2-[(4-cyano-2,5-difluorophenyl)carbamoyl]morpholine-4-carboxylate
CID 130221249
tert-butyl (3R)-3-[3-(3-fluorophenyl)benzoyl]oxypyrrolidine-1-carboxylate
CID 149359245
tert-butyl 2-phenylmorpholine-4-carboxylate
CID 58315777
tert-butyl (2R)-2-(3-fluoro-5-hydroxyphenyl)morpholine-4-carboxylate
CID 171653169

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-fluorobenzoyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-(3-fluorobenzoyl)morpholine-4-carboxylate (CID 68598494) is tert-butyl 2-(3-fluorobenzoyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-(3-fluorobenzoyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-(3-fluorobenzoyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(C(=O)c2cccc(F)c2)C1.
What is the InChIKey of tert-butyl 2-(3-fluorobenzoyl)morpholine-4-carboxylate?
The InChIKey is DKIBGHXANPVXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO4/c1-16(2,3)22-15(20)18-7-8-21-13(10-18)14(19)11-5-4-6-12(17)9-11/h4-6,9,13H,7-8,10H2,1-3H3.
What are the key properties of tert-butyl 2-(3-fluorobenzoyl)morpholine-4-carboxylate?
tert-butyl 2-(3-fluorobenzoyl)morpholine-4-carboxylate has a molecular weight of 309.34 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-fluorobenzoyl)morpholine-4-carboxylate is sourced from PubChem (CID 68598494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).