(3S,5R)-5-phenyl-3-prop-2-enyl-3-(trifluoromethyl)morpholin-2-one

C14H14F3NO2 — CID 15953651

IUPAC(3S,5R)-5-phenyl-3-prop-2-enyl-3-(trifluoromethyl)morpholin-2-one
SMILESC=CC[C@]1(C(F)(F)F)N[C@H](c2ccccc2)COC1=O
InChIInChI=1S/C14H14F3NO2/c1-2-8-13(14(15,16)17)12(19)20-9-11(18-13)10-6-4-3-5-7-10/h2-7,11,18H,1,8-9H2/t11-,13-/m0/s1
InChIKeyVCQGJGJQASTEJM-AAEUAGOBSA-N
MW285.27 g/mol
LogP2.75
Rot. Bonds3

About (3S,5R)-5-phenyl-3-prop-2-enyl-3-(trifluoromethyl)morpholin-2-one

(3S,5R)-5-phenyl-3-prop-2-enyl-3-(trifluoromethyl)morpholin-2-one (PubChem CID 15953651) has the molecular formula C14H14F3NO2 and a molecular weight of 285.27 g/mol. Its IUPAC name is (3S,5R)-5-phenyl-3-prop-2-enyl-3-(trifluoromethyl)morpholin-2-one.

Molecular Properties

Compound Name(3S,5R)-5-phenyl-3-prop-2-enyl-3-(trifluoromethyl)morpholin-2-one
PubChem CID15953651
Molecular FormulaC14H14F3NO2
Molecular Weight285.27 g/mol
Exact Mass285.10
IUPAC Name(3S,5R)-5-phenyl-3-prop-2-enyl-3-(trifluoromethyl)morpholin-2-one
SMILESC=CC[C@]1(C(F)(F)F)N[C@H](c2ccccc2)COC1=O
InChIInChI=1S/C14H14F3NO2/c1-2-8-13(14(15,16)17)12(19)20-9-11(18-13)10-6-4-3-5-7-10/h2-7,11,18H,1,8-9H2/t11-,13-/m0/s1
InChIKeyVCQGJGJQASTEJM-AAEUAGOBSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Phenylmorpholine--hydrogen chloride (1/1)
CID 17749820
L-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid methyl ester hydrochloride
CID 44890894
Ethyl alpha-phenyl-1-piperidineacetate
CID 202135
3-(4-Fluorophenyl)morpholine
CID 3831072
3-Phenylmorpholine
CID 3613837
Ethyl 3-((2-ethoxy-2-oxo-1-phenylethyl)amino)propanoate
CID 3316589
3-[[2-(Trifluoromethyl)phenyl]methylamino]oxolan-2-one
CID 43823856
Ethyl 1,2,3,4-tetrahydro-3-isoquinolinecarboxylate
CID 652898
Ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 3143023
Ethyl 2-acetamido-2-phenylacetate
CID 10149122
N-((3R,11R,E)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl)acetamide
CID 70680404
Ethyl (4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate
CID 15953649

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-phenyl-3-prop-2-enyl-3-(trifluoromethyl)morpholin-2-one?
The IUPAC name of (3S,5R)-5-phenyl-3-prop-2-enyl-3-(trifluoromethyl)morpholin-2-one (CID 15953651) is (3S,5R)-5-phenyl-3-prop-2-enyl-3-(trifluoromethyl)morpholin-2-one.
What is the SMILES notation for (3S,5R)-5-phenyl-3-prop-2-enyl-3-(trifluoromethyl)morpholin-2-one?
The canonical SMILES for (3S,5R)-5-phenyl-3-prop-2-enyl-3-(trifluoromethyl)morpholin-2-one is C=CC[C@]1(C(F)(F)F)N[C@H](c2ccccc2)COC1=O.
What is the InChIKey of (3S,5R)-5-phenyl-3-prop-2-enyl-3-(trifluoromethyl)morpholin-2-one?
The InChIKey is VCQGJGJQASTEJM-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H14F3NO2/c1-2-8-13(14(15,16)17)12(19)20-9-11(18-13)10-6-4-3-5-7-10/h2-7,11,18H,1,8-9H2/t11-,13-/m0/s1.
What are the key properties of (3S,5R)-5-phenyl-3-prop-2-enyl-3-(trifluoromethyl)morpholin-2-one?
(3S,5R)-5-phenyl-3-prop-2-enyl-3-(trifluoromethyl)morpholin-2-one has a molecular weight of 285.27 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-phenyl-3-prop-2-enyl-3-(trifluoromethyl)morpholin-2-one is sourced from PubChem (CID 15953651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).