phenyl 2-(4-fluorophenyl)-5,5-dimethylmorpholine-4-carboxylate

C19H20FNO3 — CID 110327554

IUPACphenyl 2-(4-fluorophenyl)-5,5-dimethylmorpholine-4-carboxylate
SMILESCC1(C)COC(c2ccc(F)cc2)CN1C(=O)Oc1ccccc1
InChIInChI=1S/C19H20FNO3/c1-19(2)13-23-17(14-8-10-15(20)11-9-14)12-21(19)18(22)24-16-6-4-3-5-7-16/h3-11,17H,12-13H2,1-2H3
InChIKeyAMENGIVTZDUWDM-UHFFFAOYSA-N
MW329.37 g/mol
LogP4.18
Rot. Bonds2

About phenyl 2-(4-fluorophenyl)-5,5-dimethylmorpholine-4-carboxylate

phenyl 2-(4-fluorophenyl)-5,5-dimethylmorpholine-4-carboxylate (PubChem CID 110327554) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is phenyl 2-(4-fluorophenyl)-5,5-dimethylmorpholine-4-carboxylate.

Molecular Properties

Compound Namephenyl 2-(4-fluorophenyl)-5,5-dimethylmorpholine-4-carboxylate
PubChem CID110327554
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Namephenyl 2-(4-fluorophenyl)-5,5-dimethylmorpholine-4-carboxylate
SMILESCC1(C)COC(c2ccc(F)cc2)CN1C(=O)Oc1ccccc1
InChIInChI=1S/C19H20FNO3/c1-19(2)13-23-17(14-8-10-15(20)11-9-14)12-21(19)18(22)24-16-6-4-3-5-7-16/h3-11,17H,12-13H2,1-2H3
InChIKeyAMENGIVTZDUWDM-UHFFFAOYSA-N
XLogP4.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluorophenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone
CID 110327516
1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-3-methylbutan-1-one
CID 110327504
1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pentan-1-one
CID 110327503
[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone
CID 110327513
(5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone
CID 110327302
1-[5,5-dimethyl-2-(4-methylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110327442
(2,6-dimethoxyphenyl)-(5,5-dimethyl-2-phenylmorpholin-4-yl)methanone
CID 110327316
(3,4-dimethoxyphenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone
CID 110327523
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one
CID 110327358
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone
CID 110327324
4-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-methoxybutan-1-one
CID 120591420
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(1-hydroxycyclopentyl)ethanone
CID 111432693

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(4-fluorophenyl)-5,5-dimethylmorpholine-4-carboxylate?
The IUPAC name of phenyl 2-(4-fluorophenyl)-5,5-dimethylmorpholine-4-carboxylate (CID 110327554) is phenyl 2-(4-fluorophenyl)-5,5-dimethylmorpholine-4-carboxylate.
What is the SMILES notation for phenyl 2-(4-fluorophenyl)-5,5-dimethylmorpholine-4-carboxylate?
The canonical SMILES for phenyl 2-(4-fluorophenyl)-5,5-dimethylmorpholine-4-carboxylate is CC1(C)COC(c2ccc(F)cc2)CN1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-(4-fluorophenyl)-5,5-dimethylmorpholine-4-carboxylate?
The InChIKey is AMENGIVTZDUWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-19(2)13-23-17(14-8-10-15(20)11-9-14)12-21(19)18(22)24-16-6-4-3-5-7-16/h3-11,17H,12-13H2,1-2H3.
What are the key properties of phenyl 2-(4-fluorophenyl)-5,5-dimethylmorpholine-4-carboxylate?
phenyl 2-(4-fluorophenyl)-5,5-dimethylmorpholine-4-carboxylate has a molecular weight of 329.37 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(4-fluorophenyl)-5,5-dimethylmorpholine-4-carboxylate is sourced from PubChem (CID 110327554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).