(3-fluorophenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone

C19H19F2NO2 — CID 110327516

IUPAC(3-fluorophenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone
SMILESCC1(C)COC(c2ccc(F)cc2)CN1C(=O)c1cccc(F)c1
InChIInChI=1S/C19H19F2NO2/c1-19(2)12-24-17(13-6-8-15(20)9-7-13)11-22(19)18(23)14-4-3-5-16(21)10-14/h3-10,17H,11-12H2,1-2H3
InChIKeyGPMCTVWRHMXWPT-UHFFFAOYSA-N
MW331.36 g/mol
LogP3.96
Rot. Bonds2

About (3-fluorophenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone

(3-fluorophenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone (PubChem CID 110327516) has the molecular formula C19H19F2NO2 and a molecular weight of 331.36 g/mol. Its IUPAC name is (3-fluorophenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone
PubChem CID110327516
Molecular FormulaC19H19F2NO2
Molecular Weight331.36 g/mol
Exact Mass331.14
IUPAC Name(3-fluorophenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone
SMILESCC1(C)COC(c2ccc(F)cc2)CN1C(=O)c1cccc(F)c1
InChIInChI=1S/C19H19F2NO2/c1-19(2)12-24-17(13-6-8-15(20)9-7-13)11-22(19)18(23)14-4-3-5-16(21)10-14/h3-10,17H,11-12H2,1-2H3
InChIKeyGPMCTVWRHMXWPT-UHFFFAOYSA-N
XLogP3.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone
CID 110327513
(3,4-dimethoxyphenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone
CID 110327523
(5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone
CID 110327302
(4,4-dimethyl-1,3-oxazolidin-3-yl)-(3-fluorophenyl)methanone
CID 110740612
phenyl 2-(4-fluorophenyl)-5,5-dimethylmorpholine-4-carboxylate
CID 110327554
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
(2,6-dimethoxyphenyl)-(5,5-dimethyl-2-phenylmorpholin-4-yl)methanone
CID 110327316
(E)-4-amino-1-[2-(3-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pent-2-en-1-one
CID 167839223
1,3-benzodioxol-5-yl-[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methanone
CID 110358398
[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(3,5-dimethoxyphenyl)methanone
CID 110358386
4-(3-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-5,5-dimethylmorpholine
CID 110327595

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone (CID 110327516) is (3-fluorophenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone is CC1(C)COC(c2ccc(F)cc2)CN1C(=O)c1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone?
The InChIKey is GPMCTVWRHMXWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO2/c1-19(2)12-24-17(13-6-8-15(20)9-7-13)11-22(19)18(23)14-4-3-5-16(21)10-14/h3-10,17H,11-12H2,1-2H3.
What are the key properties of (3-fluorophenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone?
(3-fluorophenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone has a molecular weight of 331.36 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 110327516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).