methyl 2-[2-fluoro-4-[2-[(2R)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate

C16H22FNO4 — CID 169157068

IUPACmethyl 2-[2-fluoro-4-[2-[(2R)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCCN2CCO[C@H](C)C2)cc1F
InChIInChI=1S/C16H22FNO4/c1-12-11-18(5-7-21-12)6-8-22-14-4-3-13(15(17)10-14)9-16(19)20-2/h3-4,10,12H,5-9,11H2,1-2H3/t12-/m1/s1
InChIKeyFGWNQZADQUMHSZ-GFCCVEGCSA-N
MW311.35 g/mol
LogP1.64
Rot. Bonds6

About methyl 2-[2-fluoro-4-[2-[(2R)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate

methyl 2-[2-fluoro-4-[2-[(2R)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate (PubChem CID 169157068) has the molecular formula C16H22FNO4 and a molecular weight of 311.35 g/mol. Its IUPAC name is methyl 2-[2-fluoro-4-[2-[(2R)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-fluoro-4-[2-[(2R)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate
PubChem CID169157068
Molecular FormulaC16H22FNO4
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Namemethyl 2-[2-fluoro-4-[2-[(2R)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCCN2CCO[C@H](C)C2)cc1F
InChIInChI=1S/C16H22FNO4/c1-12-11-18(5-7-21-12)6-8-22-14-4-3-13(15(17)10-14)9-16(19)20-2/h3-4,10,12H,5-9,11H2,1-2H3/t12-/m1/s1
InChIKeyFGWNQZADQUMHSZ-GFCCVEGCSA-N
XLogP1.64
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-fluoro-4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate
CID 169157044
methyl 2-[4-[2-[(2R)-1,4-dioxan-2-yl]ethoxy]-2-fluorophenyl]acetate
CID 169157452
ethane;1-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]butan-2-one
CID 170597012
2-methyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 134055131
4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]benzonitrile
CID 92983510
methyl 2-[2-fluoro-4-[3-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]propoxy]phenyl]acetate
CID 165404534
3-[2-(2-methylmorpholin-4-yl)ethoxy]benzonitrile
CID 43288608
methyl 2-[(2S)-2-methylmorpholin-4-yl]acetate
CID 28880549
2-[2-(2-methylmorpholin-4-yl)ethoxy]benzohydrazide
CID 63569013
N-[[3-[2-(2-methylmorpholin-4-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62438935
4-[2-(2-methoxyphenoxy)ethyl]-2-methylmorpholine
CID 47053041
(2R)-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-4-carboxamide
CID 52512106

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-fluoro-4-[2-[(2R)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate?
The IUPAC name of methyl 2-[2-fluoro-4-[2-[(2R)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate (CID 169157068) is methyl 2-[2-fluoro-4-[2-[(2R)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-fluoro-4-[2-[(2R)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[2-fluoro-4-[2-[(2R)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate is COC(=O)Cc1ccc(OCCN2CCO[C@H](C)C2)cc1F.
What is the InChIKey of methyl 2-[2-fluoro-4-[2-[(2R)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate?
The InChIKey is FGWNQZADQUMHSZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22FNO4/c1-12-11-18(5-7-21-12)6-8-22-14-4-3-13(15(17)10-14)9-16(19)20-2/h3-4,10,12H,5-9,11H2,1-2H3/t12-/m1/s1.
What are the key properties of methyl 2-[2-fluoro-4-[2-[(2R)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate?
methyl 2-[2-fluoro-4-[2-[(2R)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate has a molecular weight of 311.35 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-fluoro-4-[2-[(2R)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate is sourced from PubChem (CID 169157068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).