cis-diethyl (2R,3R)-2-fluoro-2-(morpholine-4-carbonyl)-3-phenylcyclopropane-1,1-dicarboxylate

C20H24FNO6 — CID 134846223

IUPACcis-diethyl (2R,3R)-2-fluoro-2-(morpholine-4-carbonyl)-3-phenylcyclopropane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)[C@@H](c2ccccc2)[C@]1(F)C(=O)N1CCOCC1
InChIInChI=1S/C20H24FNO6/c1-3-27-17(24)19(18(25)28-4-2)15(14-8-6-5-7-9-14)20(19,21)16(23)22-10-12-26-13-11-22/h5-9,15H,3-4,10-13H2,1-2H3/t15-,20+/m1/s1
InChIKeyJWLZLVDKUPTGKZ-QRWLVFNGSA-N
MW393.41 g/mol
LogP1.46
Rot. Bonds6

About cis-diethyl (2R,3R)-2-fluoro-2-(morpholine-4-carbonyl)-3-phenylcyclopropane-1,1-dicarboxylate

cis-diethyl (2R,3R)-2-fluoro-2-(morpholine-4-carbonyl)-3-phenylcyclopropane-1,1-dicarboxylate (PubChem CID 134846223) has the molecular formula C20H24FNO6 and a molecular weight of 393.41 g/mol. Its IUPAC name is cis-diethyl (2R,3R)-2-fluoro-2-(morpholine-4-carbonyl)-3-phenylcyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Namecis-diethyl (2R,3R)-2-fluoro-2-(morpholine-4-carbonyl)-3-phenylcyclopropane-1,1-dicarboxylate
PubChem CID134846223
Molecular FormulaC20H24FNO6
Molecular Weight393.41 g/mol
Exact Mass393.16
IUPAC Namecis-diethyl (2R,3R)-2-fluoro-2-(morpholine-4-carbonyl)-3-phenylcyclopropane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)[C@@H](c2ccccc2)[C@]1(F)C(=O)N1CCOCC1
InChIInChI=1S/C20H24FNO6/c1-3-27-17(24)19(18(25)28-4-2)15(14-8-6-5-7-9-14)20(19,21)16(23)22-10-12-26-13-11-22/h5-9,15H,3-4,10-13H2,1-2H3/t15-,20+/m1/s1
InChIKeyJWLZLVDKUPTGKZ-QRWLVFNGSA-N
XLogP1.46
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze cis-diethyl (2R,3R)-2-fluoro-2-(morpholine-4-carbonyl)-3-phenylcyclopropane-1,1-dicarboxylate 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

Ethyl 1-(4-methoxy-4-oxobutanoyl)-3-(2-methylbenzyl)-3-piperidinecarboxylate
CID 23723860
2-(4-Morpholinocarbonyl)-3-phenylcyclopropane-2-(1-methylethyl)-5-methylcyclohexyl ester
CID 131895
trans-3-Ethoxycarbonyl-4-(4'-fluorophenyl)-1-methylpiperidine-2,6-dione
CID 15405466
(3R,4S)-Ethyl 4-(4-fluorophenyl)-1-methyl-2,6-dioxopiperidine-3-carboxylate
CID 18637871
trans-diethyl (2S,3R)-2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluoro-3-phenylcyclopropane-1,1-dicarboxylate
CID 134846219
cis-benzyl (1R,2R)-2-fluoro-1-methyl-2-(morpholine-4-carbonyl)cyclopropane-1-carboxylate
CID 135060794
trans-benzyl (1S,2R)-2-fluoro-1-methyl-2-(morpholine-4-carbonyl)cyclopropane-1-carboxylate
CID 135061603
diethyl 2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluoro-3-phenylcyclopropane-1,1-dicarboxylate
CID 135062877
diethyl (2R)-2-fluoro-2-(morpholine-4-carbonyl)-3-phenylcyclopropane-1,1-dicarboxylate
CID 135063309
Ethyl 3-(2,4-difluorobenzyl)-1-(4-methoxy-4-oxobutanoyl)-3-piperidinecarboxylate
CID 45233977
Ethyl 4-(4-fluorophenyl)-1-methyl-2,6-dioxopiperidine-3-carboxylate
CID 15405467
Ethyl 4-(4-fluorophenyl)-2,6-dioxo-1-pentylpiperidine-3-carboxylate
CID 21640432

Frequently Asked Questions

What is the IUPAC name of cis-diethyl (2R,3R)-2-fluoro-2-(morpholine-4-carbonyl)-3-phenylcyclopropane-1,1-dicarboxylate?
The IUPAC name of cis-diethyl (2R,3R)-2-fluoro-2-(morpholine-4-carbonyl)-3-phenylcyclopropane-1,1-dicarboxylate (CID 134846223) is cis-diethyl (2R,3R)-2-fluoro-2-(morpholine-4-carbonyl)-3-phenylcyclopropane-1,1-dicarboxylate.
What is the SMILES notation for cis-diethyl (2R,3R)-2-fluoro-2-(morpholine-4-carbonyl)-3-phenylcyclopropane-1,1-dicarboxylate?
The canonical SMILES for cis-diethyl (2R,3R)-2-fluoro-2-(morpholine-4-carbonyl)-3-phenylcyclopropane-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCC)[C@@H](c2ccccc2)[C@]1(F)C(=O)N1CCOCC1.
What is the InChIKey of cis-diethyl (2R,3R)-2-fluoro-2-(morpholine-4-carbonyl)-3-phenylcyclopropane-1,1-dicarboxylate?
The InChIKey is JWLZLVDKUPTGKZ-QRWLVFNGSA-N. The full InChI is InChI=1S/C20H24FNO6/c1-3-27-17(24)19(18(25)28-4-2)15(14-8-6-5-7-9-14)20(19,21)16(23)22-10-12-26-13-11-22/h5-9,15H,3-4,10-13H2,1-2H3/t15-,20+/m1/s1.
What are the key properties of cis-diethyl (2R,3R)-2-fluoro-2-(morpholine-4-carbonyl)-3-phenylcyclopropane-1,1-dicarboxylate?
cis-diethyl (2R,3R)-2-fluoro-2-(morpholine-4-carbonyl)-3-phenylcyclopropane-1,1-dicarboxylate has a molecular weight of 393.41 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-diethyl (2R,3R)-2-fluoro-2-(morpholine-4-carbonyl)-3-phenylcyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 134846223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).