[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate

C16H19ClFNO4 — CID 9119826

IUPAC[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESC[C@@H]1CN(C(=O)COC(=O)Cc2c(F)cccc2Cl)C[C@H](C)O1
InChIInChI=1S/C16H19ClFNO4/c1-10-7-19(8-11(2)23-10)15(20)9-22-16(21)6-12-13(17)4-3-5-14(12)18/h3-5,10-11H,6-9H2,1-2H3/t10-,11+
InChIKeyDPQRJYCHNFXJPD-PHIMTYICSA-N
MW343.78 g/mol
LogP2.20
Rot. Bonds4

About [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate

[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 9119826) has the molecular formula C16H19ClFNO4 and a molecular weight of 343.78 g/mol. Its IUPAC name is [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
PubChem CID9119826
Molecular FormulaC16H19ClFNO4
Molecular Weight343.78 g/mol
Exact Mass343.10
IUPAC Name[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESC[C@@H]1CN(C(=O)COC(=O)Cc2c(F)cccc2Cl)C[C@H](C)O1
InChIInChI=1S/C16H19ClFNO4/c1-10-7-19(8-11(2)23-10)15(20)9-22-16(21)6-12-13(17)4-3-5-14(12)18/h3-5,10-11H,6-9H2,1-2H3/t10-,11+
InChIKeyDPQRJYCHNFXJPD-PHIMTYICSA-N
XLogP2.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.78
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (CID 9119826) is [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate is C[C@@H]1CN(C(=O)COC(=O)Cc2c(F)cccc2Cl)C[C@H](C)O1.
What is the InChIKey of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The InChIKey is DPQRJYCHNFXJPD-PHIMTYICSA-N. The full InChI is InChI=1S/C16H19ClFNO4/c1-10-7-19(8-11(2)23-10)15(20)9-22-16(21)6-12-13(17)4-3-5-14(12)18/h3-5,10-11H,6-9H2,1-2H3/t10-,11+.
What are the key properties of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 343.78 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 9119826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).