1-chloroethenyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate

C13H13ClFNO3 — CID 174559553

IUPAC1-chloroethenyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate
SMILESC=C(Cl)OC(=O)N1CCO[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C13H13ClFNO3/c1-9(14)19-13(17)16-6-7-18-12(8-16)10-2-4-11(15)5-3-10/h2-5,12H,1,6-8H2/t12-/m0/s1
InChIKeyWGLNODFWGCOIES-LBPRGKRZSA-N
MW285.70 g/mol
LogP3.05
Rot. Bonds2

About 1-chloroethenyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate

1-chloroethenyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate (PubChem CID 174559553) has the molecular formula C13H13ClFNO3 and a molecular weight of 285.70 g/mol. Its IUPAC name is 1-chloroethenyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate.

Molecular Properties

Compound Name1-chloroethenyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate
PubChem CID174559553
Molecular FormulaC13H13ClFNO3
Molecular Weight285.70 g/mol
Exact Mass285.06
IUPAC Name1-chloroethenyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate
SMILESC=C(Cl)OC(=O)N1CCO[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C13H13ClFNO3/c1-9(14)19-13(17)16-6-7-18-12(8-16)10-2-4-11(15)5-3-10/h2-5,12H,1,6-8H2/t12-/m0/s1
InChIKeyWGLNODFWGCOIES-LBPRGKRZSA-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'}

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Related Compounds

1-chloroethenyl (2S)-2-(3-fluorophenyl)morpholine-4-carboxylate
CID 174559637
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
2-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 60949473
cyclopropyl-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]methanone
CID 134044230
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
1-[2-(4-fluorophenyl)morpholin-4-yl]but-2-en-1-one
CID 112727083
2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 107904527
[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 47913292
(2R)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119112319
[2-(4-fluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 60958921
[2-(4-fluorophenyl)cyclopropyl]-(2-phenylmorpholin-4-yl)methanone
CID 134040067

Frequently Asked Questions

What is the IUPAC name of 1-chloroethenyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate?
The IUPAC name of 1-chloroethenyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate (CID 174559553) is 1-chloroethenyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate.
What is the SMILES notation for 1-chloroethenyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate?
The canonical SMILES for 1-chloroethenyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate is C=C(Cl)OC(=O)N1CCO[C@H](c2ccc(F)cc2)C1.
What is the InChIKey of 1-chloroethenyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate?
The InChIKey is WGLNODFWGCOIES-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H13ClFNO3/c1-9(14)19-13(17)16-6-7-18-12(8-16)10-2-4-11(15)5-3-10/h2-5,12H,1,6-8H2/t12-/m0/s1.
What are the key properties of 1-chloroethenyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate?
1-chloroethenyl (2R)-2-(4-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 (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate is sourced from PubChem (CID 174559553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).