methyl 2-[4-[(3-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate

C15H17FN2O3 — CID 103886154

IUPACmethyl 2-[4-[(3-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(Cc2cccc(C#N)c2F)CCO1
InChIInChI=1S/C15H17FN2O3/c1-20-14(19)7-13-10-18(5-6-21-13)9-12-4-2-3-11(8-17)15(12)16/h2-4,13H,5-7,9-10H2,1H3
InChIKeyFNSWEGPYMCPAND-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.46
Rot. Bonds4

About methyl 2-[4-[(3-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate

methyl 2-[4-[(3-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate (PubChem CID 103886154) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is methyl 2-[4-[(3-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(3-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate
PubChem CID103886154
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Namemethyl 2-[4-[(3-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(Cc2cccc(C#N)c2F)CCO1
InChIInChI=1S/C15H17FN2O3/c1-20-14(19)7-13-10-18(5-6-21-13)9-12-4-2-3-11(8-17)15(12)16/h2-4,13H,5-7,9-10H2,1H3
InChIKeyFNSWEGPYMCPAND-UHFFFAOYSA-N
XLogP1.46
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-[(4-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate
CID 79827334
methyl 2-[4-[(4-cyano-2-methylphenyl)methyl]morpholin-2-yl]acetate
CID 114485245
methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552
methyl 2-[4-(2-chloro-6-cyanophenyl)morpholin-2-yl]acetate
CID 71862321
methyl 1-[(3-cyano-2-fluorophenyl)methyl]piperidine-3-carboxylate
CID 103912126
methyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate
CID 79822519
methyl 1-[(3-cyano-2-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxylate
CID 103912372
methyl 2-[4-[[4-(aminomethyl)-2-fluorophenyl]methyl]morpholin-2-yl]acetate
CID 115533910
methyl 2-[(2S)-4-[(6-fluoroquinolin-8-yl)methyl]morpholin-2-yl]acetate
CID 96999157
methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate
CID 79822269
2-[1-[(3-cyano-2-fluorophenyl)methyl]pyrrolidin-3-yl]acetic acid
CID 107118829
2-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzonitrile
CID 79833363

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(3-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-[(3-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate (CID 103886154) is methyl 2-[4-[(3-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(3-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[(3-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate is COC(=O)CC1CN(Cc2cccc(C#N)c2F)CCO1.
What is the InChIKey of methyl 2-[4-[(3-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate?
The InChIKey is FNSWEGPYMCPAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-20-14(19)7-13-10-18(5-6-21-13)9-12-4-2-3-11(8-17)15(12)16/h2-4,13H,5-7,9-10H2,1H3.
What are the key properties of methyl 2-[4-[(3-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate?
methyl 2-[4-[(3-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate has a molecular weight of 292.31 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(3-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate is sourced from PubChem (CID 103886154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).