5-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

C18H20FNO5 — CID 168598045

IUPAC5-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCC1(C)OC(=O)C(=Cc2ccc(CN3CCOCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H20FNO5/c1-18(2)24-16(21)14(17(22)25-18)9-12-3-4-13(15(19)10-12)11-20-5-7-23-8-6-20/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyQQDYOJFABUZFLX-UHFFFAOYSA-N
MW349.36 g/mol
LogP1.88
Rot. Bonds3

About 5-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

5-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (PubChem CID 168598045) has the molecular formula C18H20FNO5 and a molecular weight of 349.36 g/mol. Its IUPAC name is 5-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
PubChem CID168598045
Molecular FormulaC18H20FNO5
Molecular Weight349.36 g/mol
Exact Mass349.13
IUPAC Name5-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCC1(C)OC(=O)C(=Cc2ccc(CN3CCOCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H20FNO5/c1-18(2)24-16(21)14(17(22)25-18)9-12-3-4-13(15(19)10-12)11-20-5-7-23-8-6-20/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyQQDYOJFABUZFLX-UHFFFAOYSA-N
XLogP1.88
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 5-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-chloro-3-fluorophenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168600385
4-[[2-fluoro-4-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]morpholine
CID 141168108
2-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574151
3-[3-fluoro-4-(1,4-oxazepan-4-ylmethyl)phenyl]prop-2-enoic acid
CID 76979620
5-[[2-(azepan-1-ylmethyl)-4-fluorophenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168597928
4-(fluoren-9-ylidenemethyl)-2,6-bis(morpholin-4-ylmethyl)phenol
CID 16681691
2,2-dimethyl-5-[[2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-dioxane-4,6-dione
CID 168599804
2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid
CID 117421534
4-[(4-fluoronaphthalen-1-yl)methyl]morpholine;hydrochloride
CID 165434083
2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-methylpropan-1-ol
CID 117422004
[1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]cyclopropyl]methanamine
CID 117415603
5-[(3,4-dimethylphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 123289031

Frequently Asked Questions

What is the IUPAC name of 5-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (CID 168598045) is 5-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is CC1(C)OC(=O)C(=Cc2ccc(CN3CCOCC3)c(F)c2)C(=O)O1.
What is the InChIKey of 5-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The InChIKey is QQDYOJFABUZFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO5/c1-18(2)24-16(21)14(17(22)25-18)9-12-3-4-13(15(19)10-12)11-20-5-7-23-8-6-20/h3-4,9-10H,5-8,11H2,1-2H3.
What are the key properties of 5-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
5-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione has a molecular weight of 349.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 168598045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).