(2R)-4-(4-fluorophenyl)-5-methylidene-2-phenyl-2-(trifluoromethyl)morpholin-3-one

C18H13F4NO2 — CID 139201222

IUPAC(2R)-4-(4-fluorophenyl)-5-methylidene-2-phenyl-2-(trifluoromethyl)morpholin-3-one
SMILESC=C1CO[C@@](c2ccccc2)(C(F)(F)F)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C18H13F4NO2/c1-12-11-25-17(18(20,21)22,13-5-3-2-4-6-13)16(24)23(12)15-9-7-14(19)8-10-15/h2-10H,1,11H2/t17-/m1/s1
InChIKeyHXMQDCLVONSELU-QGZVFWFLSA-N
MW351.30 g/mol
LogP4.16
Rot. Bonds2

About (2R)-4-(4-fluorophenyl)-5-methylidene-2-phenyl-2-(trifluoromethyl)morpholin-3-one

(2R)-4-(4-fluorophenyl)-5-methylidene-2-phenyl-2-(trifluoromethyl)morpholin-3-one (PubChem CID 139201222) has the molecular formula C18H13F4NO2 and a molecular weight of 351.30 g/mol. Its IUPAC name is (2R)-4-(4-fluorophenyl)-5-methylidene-2-phenyl-2-(trifluoromethyl)morpholin-3-one.

Molecular Properties

Compound Name(2R)-4-(4-fluorophenyl)-5-methylidene-2-phenyl-2-(trifluoromethyl)morpholin-3-one
PubChem CID139201222
Molecular FormulaC18H13F4NO2
Molecular Weight351.30 g/mol
Exact Mass351.09
IUPAC Name(2R)-4-(4-fluorophenyl)-5-methylidene-2-phenyl-2-(trifluoromethyl)morpholin-3-one
SMILESC=C1CO[C@@](c2ccccc2)(C(F)(F)F)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C18H13F4NO2/c1-12-11-25-17(18(20,21)22,13-5-3-2-4-6-13)16(24)23(12)15-9-7-14(19)8-10-15/h2-10H,1,11H2/t17-/m1/s1
InChIKeyHXMQDCLVONSELU-QGZVFWFLSA-N
XLogP4.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-2-methoxy-2-phenylacetamide
CID 2930312
2-(Benzyloxy)-1-(4-(2,4-difluorophenyl)piperazin-1-yl)ethanone
CID 24762955
N-(2-fluorophenyl)-2-methoxy-2-phenylacetamide
CID 2897236
N-(3-fluorophenyl)-2-methoxy-2-phenylacetamide
CID 2928691
2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate
CID 2930820
2-[4-(2-Fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate
CID 2932443
[2-Oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] cyclohexanecarboxylate
CID 4168101
N-(2,6-difluorophenyl)-2-methoxy-2-phenylacetamide
CID 2955946
N-(4-fluorophenyl)-2-methoxy-2-phenylacetamide
CID 2897814
N-(3,4-difluorophenyl)-2-methoxy-2-phenylacetamide
CID 2956436
N-(2-benzylphenyl)-2-ethoxy-2,2-diphenylacetamide
CID 2557935
2,2-Dimethyl-4,6,6-triphenylmorpholine-3,5-dione
CID 12282991

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-fluorophenyl)-5-methylidene-2-phenyl-2-(trifluoromethyl)morpholin-3-one?
The IUPAC name of (2R)-4-(4-fluorophenyl)-5-methylidene-2-phenyl-2-(trifluoromethyl)morpholin-3-one (CID 139201222) is (2R)-4-(4-fluorophenyl)-5-methylidene-2-phenyl-2-(trifluoromethyl)morpholin-3-one.
What is the SMILES notation for (2R)-4-(4-fluorophenyl)-5-methylidene-2-phenyl-2-(trifluoromethyl)morpholin-3-one?
The canonical SMILES for (2R)-4-(4-fluorophenyl)-5-methylidene-2-phenyl-2-(trifluoromethyl)morpholin-3-one is C=C1CO[C@@](c2ccccc2)(C(F)(F)F)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of (2R)-4-(4-fluorophenyl)-5-methylidene-2-phenyl-2-(trifluoromethyl)morpholin-3-one?
The InChIKey is HXMQDCLVONSELU-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H13F4NO2/c1-12-11-25-17(18(20,21)22,13-5-3-2-4-6-13)16(24)23(12)15-9-7-14(19)8-10-15/h2-10H,1,11H2/t17-/m1/s1.
What are the key properties of (2R)-4-(4-fluorophenyl)-5-methylidene-2-phenyl-2-(trifluoromethyl)morpholin-3-one?
(2R)-4-(4-fluorophenyl)-5-methylidene-2-phenyl-2-(trifluoromethyl)morpholin-3-one has a molecular weight of 351.30 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-fluorophenyl)-5-methylidene-2-phenyl-2-(trifluoromethyl)morpholin-3-one is sourced from PubChem (CID 139201222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).