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

C14H15FN2O3 — CID 115534647

IUPACmethyl 2-[4-(4-cyano-3-fluorophenyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2ccc(C#N)c(F)c2)CCO1
InChIInChI=1S/C14H15FN2O3/c1-19-14(18)7-12-9-17(4-5-20-12)11-3-2-10(8-16)13(15)6-11/h2-3,6,12H,4-5,7,9H2,1H3
InChIKeyQZSFARFPWNHAAR-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.47
Rot. Bonds3

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

methyl 2-[4-(4-cyano-3-fluorophenyl)morpholin-2-yl]acetate (PubChem CID 115534647) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is methyl 2-[4-(4-cyano-3-fluorophenyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-cyano-3-fluorophenyl)morpholin-2-yl]acetate
PubChem CID115534647
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Namemethyl 2-[4-(4-cyano-3-fluorophenyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2ccc(C#N)c(F)c2)CCO1
InChIInChI=1S/C14H15FN2O3/c1-19-14(18)7-12-9-17(4-5-20-12)11-3-2-10(8-16)13(15)6-11/h2-3,6,12H,4-5,7,9H2,1H3
InChIKeyQZSFARFPWNHAAR-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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Related Compounds

2-[4-(4-cyano-3-methylphenyl)morpholin-2-yl]acetic acid
CID 81273848
methyl 2-[4-(2-chloro-6-cyanophenyl)morpholin-2-yl]acetate
CID 71862321
methyl 2-[4-(4-methylsulfonylphenyl)morpholin-2-yl]acetate
CID 115538670
methyl 4-(4-cyano-3-fluorophenyl)morpholine-3-carboxylate
CID 104774602
methyl 4-(4-cyano-3-methylphenyl)morpholine-2-carboxylate
CID 115534628
methyl 2-[4-[(3-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate
CID 103886154
methyl 2-[4-[(4-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate
CID 79827334
methyl 2-[4-(3-cyanopyrazin-2-yl)morpholin-2-yl]acetate
CID 79770872
2-[4-(3-cyano-4-nitrophenyl)morpholin-2-yl]acetic acid
CID 115499945
methyl 2-[4-(2-carbamothioyl-4-fluorophenyl)morpholin-2-yl]acetate
CID 115534921
2-fluoro-4-(3-methylpyrrolidin-1-yl)benzonitrile
CID 115367221
methyl 2-[4-(2-bromo-4-nitrophenyl)morpholin-2-yl]acetate
CID 79764169

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-cyano-3-fluorophenyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(4-cyano-3-fluorophenyl)morpholin-2-yl]acetate (CID 115534647) is methyl 2-[4-(4-cyano-3-fluorophenyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(4-cyano-3-fluorophenyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(4-cyano-3-fluorophenyl)morpholin-2-yl]acetate is COC(=O)CC1CN(c2ccc(C#N)c(F)c2)CCO1.
What is the InChIKey of methyl 2-[4-(4-cyano-3-fluorophenyl)morpholin-2-yl]acetate?
The InChIKey is QZSFARFPWNHAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-19-14(18)7-12-9-17(4-5-20-12)11-3-2-10(8-16)13(15)6-11/h2-3,6,12H,4-5,7,9H2,1H3.
What are the key properties of methyl 2-[4-(4-cyano-3-fluorophenyl)morpholin-2-yl]acetate?
methyl 2-[4-(4-cyano-3-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-(4-cyano-3-fluorophenyl)morpholin-2-yl]acetate is sourced from PubChem (CID 115534647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).