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

C15H17FN2O3 — CID 79827334

IUPACmethyl 2-[4-[(4-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(Cc2ccc(C#N)cc2F)CCO1
InChIInChI=1S/C15H17FN2O3/c1-20-15(19)7-13-10-18(4-5-21-13)9-12-3-2-11(8-17)6-14(12)16/h2-3,6,13H,4-5,7,9-10H2,1H3
InChIKeyRSPSELJQAYGBFG-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.46
Rot. Bonds4

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

methyl 2-[4-[(4-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate (PubChem CID 79827334) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is methyl 2-[4-[(4-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(4-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate
PubChem CID79827334
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Namemethyl 2-[4-[(4-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(Cc2ccc(C#N)cc2F)CCO1
InChIInChI=1S/C15H17FN2O3/c1-20-15(19)7-13-10-18(4-5-21-13)9-12-3-2-11(8-17)6-14(12)16/h2-3,6,13H,4-5,7,9-10H2,1H3
InChIKeyRSPSELJQAYGBFG-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-methylphenyl)methyl]morpholin-2-yl]acetate
CID 114485245
methyl 2-[4-[[4-(aminomethyl)-2-fluorophenyl]methyl]morpholin-2-yl]acetate
CID 115533910
methyl 2-[4-[(3-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate
CID 103886154
3-fluoro-4-[[2-(piperidine-1-carbonyl)morpholin-4-yl]methyl]benzonitrile
CID 146078095
methyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate
CID 79822519
methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552
methyl 2-[4-[(2,6-dichloro-3-pyridinyl)methyl]morpholin-2-yl]acetate
CID 104969525
methyl 2-[(2S)-4-[(6-fluoroquinolin-8-yl)methyl]morpholin-2-yl]acetate
CID 96999157
methyl 2-[4-[(3-bromo-2,6-difluorophenyl)methyl]morpholin-2-yl]acetate
CID 106270408
methyl 2-[4-(4-cyano-3-fluorophenyl)morpholin-2-yl]acetate
CID 115534647
4-[(4-acetylpiperazin-1-yl)methyl]-3-fluorobenzonitrile
CID 24698831
4-[(2-fluoro-4-methoxyphenyl)methyl]morpholine-2-carbonitrile
CID 102876748

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(4-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-[(4-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate (CID 79827334) is methyl 2-[4-[(4-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(4-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[(4-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate is COC(=O)CC1CN(Cc2ccc(C#N)cc2F)CCO1.
What is the InChIKey of methyl 2-[4-[(4-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate?
The InChIKey is RSPSELJQAYGBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-20-15(19)7-13-10-18(4-5-21-13)9-12-3-2-11(8-17)6-14(12)16/h2-3,6,13H,4-5,7,9-10H2,1H3.
What are the key properties of methyl 2-[4-[(4-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate?
methyl 2-[4-[(4-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-[(4-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate is sourced from PubChem (CID 79827334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).