methyl 2-[4-(2-cyano-4-fluorophenyl)morpholin-2-yl]acetate

C14H15FN2O3 — CID 71862322

IUPACmethyl 2-[4-(2-cyano-4-fluorophenyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2ccc(F)cc2C#N)CCO1
InChIInChI=1S/C14H15FN2O3/c1-19-14(18)7-12-9-17(4-5-20-12)13-3-2-11(15)6-10(13)8-16/h2-3,6,12H,4-5,7,9H2,1H3
InChIKeyLGEMLKNVEGXDOL-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.47
Rot. Bonds3

About methyl 2-[4-(2-cyano-4-fluorophenyl)morpholin-2-yl]acetate

methyl 2-[4-(2-cyano-4-fluorophenyl)morpholin-2-yl]acetate (PubChem CID 71862322) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is methyl 2-[4-(2-cyano-4-fluorophenyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-cyano-4-fluorophenyl)morpholin-2-yl]acetate
PubChem CID71862322
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Namemethyl 2-[4-(2-cyano-4-fluorophenyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2ccc(F)cc2C#N)CCO1
InChIInChI=1S/C14H15FN2O3/c1-19-14(18)7-12-9-17(4-5-20-12)13-3-2-11(15)6-10(13)8-16/h2-3,6,12H,4-5,7,9H2,1H3
InChIKeyLGEMLKNVEGXDOL-UHFFFAOYSA-N
XLogP1.47
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-cyano-4-fluorophenyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(2-cyano-4-fluorophenyl)morpholin-2-yl]acetate (CID 71862322) is methyl 2-[4-(2-cyano-4-fluorophenyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2-cyano-4-fluorophenyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(2-cyano-4-fluorophenyl)morpholin-2-yl]acetate is COC(=O)CC1CN(c2ccc(F)cc2C#N)CCO1.
What is the InChIKey of methyl 2-[4-(2-cyano-4-fluorophenyl)morpholin-2-yl]acetate?
The InChIKey is LGEMLKNVEGXDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-19-14(18)7-12-9-17(4-5-20-12)13-3-2-11(15)6-10(13)8-16/h2-3,6,12H,4-5,7,9H2,1H3.
What are the key properties of methyl 2-[4-(2-cyano-4-fluorophenyl)morpholin-2-yl]acetate?
methyl 2-[4-(2-cyano-4-fluorophenyl)morpholin-2-yl]acetate has a molecular weight of 278.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-cyano-4-fluorophenyl)morpholin-2-yl]acetate is sourced from PubChem (CID 71862322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).