1-chloroethenyl (2S)-2-(3-fluorophenyl)morpholine-4-carboxylate

C13H13ClFNO3 — CID 174559637

IUPAC1-chloroethenyl (2S)-2-(3-fluorophenyl)morpholine-4-carboxylate
SMILESC=C(Cl)OC(=O)N1CCO[C@@H](c2cccc(F)c2)C1
InChIInChI=1S/C13H13ClFNO3/c1-9(14)19-13(17)16-5-6-18-12(8-16)10-3-2-4-11(15)7-10/h2-4,7,12H,1,5-6,8H2/t12-/m1/s1
InChIKeyWCOQODSFOSNAJY-GFCCVEGCSA-N
MW285.70 g/mol
LogP3.05
Rot. Bonds2

About 1-chloroethenyl (2S)-2-(3-fluorophenyl)morpholine-4-carboxylate

1-chloroethenyl (2S)-2-(3-fluorophenyl)morpholine-4-carboxylate (PubChem CID 174559637) has the molecular formula C13H13ClFNO3 and a molecular weight of 285.70 g/mol. Its IUPAC name is 1-chloroethenyl (2S)-2-(3-fluorophenyl)morpholine-4-carboxylate.

Molecular Properties

Compound Name1-chloroethenyl (2S)-2-(3-fluorophenyl)morpholine-4-carboxylate
PubChem CID174559637
Molecular FormulaC13H13ClFNO3
Molecular Weight285.70 g/mol
Exact Mass285.06
IUPAC Name1-chloroethenyl (2S)-2-(3-fluorophenyl)morpholine-4-carboxylate
SMILESC=C(Cl)OC(=O)N1CCO[C@@H](c2cccc(F)c2)C1
InChIInChI=1S/C13H13ClFNO3/c1-9(14)19-13(17)16-5-6-18-12(8-16)10-3-2-4-11(15)7-10/h2-4,7,12H,1,5-6,8H2/t12-/m1/s1
InChIKeyWCOQODSFOSNAJY-GFCCVEGCSA-N
XLogP3.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.70
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-chloroethenyl (2S)-2-(3-fluorophenyl)morpholine-4-carboxylate 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

1-chloroethenyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 174559553
4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid
CID 119183981
(4-nitrophenyl) (2S)-2-(3-fluorophenyl)morpholine-4-carboxylate
CID 67354450
3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315907
(1-aminocyclopropyl)-[2-(3-fluorophenyl)morpholin-4-yl]methanone;hydrochloride
CID 119770397
1-[2-(3-fluorophenyl)morpholin-4-yl]-2,3,3-trimethylbutan-1-one
CID 136526058
1-[2-(3-fluorophenyl)morpholin-4-yl]-2-hydroxy-2-phenylethanone
CID 111432690
2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119770425
1-[2-(3-fluorophenyl)morpholin-4-yl]-2-methyl-3-methylsulfonylpropan-1-one
CID 136511968
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride
CID 120988772
(2S)-2-(3-fluorophenyl)-N-thiophen-3-ylmorpholine-4-carboxamide
CID 99775755
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one;hydrochloride
CID 119770437

Frequently Asked Questions

What is the IUPAC name of 1-chloroethenyl (2S)-2-(3-fluorophenyl)morpholine-4-carboxylate?
The IUPAC name of 1-chloroethenyl (2S)-2-(3-fluorophenyl)morpholine-4-carboxylate (CID 174559637) is 1-chloroethenyl (2S)-2-(3-fluorophenyl)morpholine-4-carboxylate.
What is the SMILES notation for 1-chloroethenyl (2S)-2-(3-fluorophenyl)morpholine-4-carboxylate?
The canonical SMILES for 1-chloroethenyl (2S)-2-(3-fluorophenyl)morpholine-4-carboxylate is C=C(Cl)OC(=O)N1CCO[C@@H](c2cccc(F)c2)C1.
What is the InChIKey of 1-chloroethenyl (2S)-2-(3-fluorophenyl)morpholine-4-carboxylate?
The InChIKey is WCOQODSFOSNAJY-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H13ClFNO3/c1-9(14)19-13(17)16-5-6-18-12(8-16)10-3-2-4-11(15)7-10/h2-4,7,12H,1,5-6,8H2/t12-/m1/s1.
What are the key properties of 1-chloroethenyl (2S)-2-(3-fluorophenyl)morpholine-4-carboxylate?
1-chloroethenyl (2S)-2-(3-fluorophenyl)morpholine-4-carboxylate has a molecular weight of 285.70 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroethenyl (2S)-2-(3-fluorophenyl)morpholine-4-carboxylate is sourced from PubChem (CID 174559637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).