but-2-enedioic acid;2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]-4-methylmorpholine

C19H24FNO6 — CID 67584301

IUPACbut-2-enedioic acid;2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]-4-methylmorpholine
SMILESCN1CCOC(COc2ccc(F)c3c2CCC3)C1.O=C(O)C=CC(=O)O
InChIInChI=1S/C15H20FNO2.C4H4O4/c1-17-7-8-18-11(9-17)10-19-15-6-5-14(16)12-3-2-4-13(12)15;5-3(6)1-2-4(7)8/h5-6,11H,2-4,7-10H2,1H3;1-2H,(H,5,6)(H,7,8)
InChIKeyCIPYJWYLUXDTMG-UHFFFAOYSA-N
MW381.40 g/mol
LogP1.74
Rot. Bonds5

About but-2-enedioic acid;2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]-4-methylmorpholine

but-2-enedioic acid;2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]-4-methylmorpholine (PubChem CID 67584301) has the molecular formula C19H24FNO6 and a molecular weight of 381.40 g/mol. Its IUPAC name is but-2-enedioic acid;2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]-4-methylmorpholine.

Molecular Properties

Compound Namebut-2-enedioic acid;2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]-4-methylmorpholine
PubChem CID67584301
Molecular FormulaC19H24FNO6
Molecular Weight381.40 g/mol
Exact Mass381.16
IUPAC Namebut-2-enedioic acid;2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]-4-methylmorpholine
SMILESCN1CCOC(COc2ccc(F)c3c2CCC3)C1.O=C(O)C=CC(=O)O
InChIInChI=1S/C15H20FNO2.C4H4O4/c1-17-7-8-18-11(9-17)10-19-15-6-5-14(16)12-3-2-4-13(12)15;5-3(6)1-2-4(7)8/h5-6,11H,2-4,7-10H2,1H3;1-2H,(H,5,6)(H,7,8)
InChIKeyCIPYJWYLUXDTMG-UHFFFAOYSA-N
XLogP1.74
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze but-2-enedioic acid;2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]-4-methylmorpholine with MolForge

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Launch Full Analysis

Related Compounds

(E)-3-[3-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-enoic acid
CID 115957029
1-[5-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanone
CID 79171911
[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol
CID 107690789
(2S)-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxane;hydrochloride
CID 161179637
(2S)-2-[(4-chloro-2-iodophenoxy)methyl]-4-methylmorpholine
CID 58005244
3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid
CID 79166366
2-[(2,4-dimethylphenoxy)methyl]-4-methylmorpholine
CID 79182676
N-[[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 107687677
2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine
CID 114264381
5-fluoro-2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 114415689
[2-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 79182948
ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methoxy]benzoate
CID 106955980

Frequently Asked Questions

What is the IUPAC name of but-2-enedioic acid;2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]-4-methylmorpholine?
The IUPAC name of but-2-enedioic acid;2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]-4-methylmorpholine (CID 67584301) is but-2-enedioic acid;2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]-4-methylmorpholine.
What is the SMILES notation for but-2-enedioic acid;2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]-4-methylmorpholine?
The canonical SMILES for but-2-enedioic acid;2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]-4-methylmorpholine is CN1CCOC(COc2ccc(F)c3c2CCC3)C1.O=C(O)C=CC(=O)O.
What is the InChIKey of but-2-enedioic acid;2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]-4-methylmorpholine?
The InChIKey is CIPYJWYLUXDTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2.C4H4O4/c1-17-7-8-18-11(9-17)10-19-15-6-5-14(16)12-3-2-4-13(12)15;5-3(6)1-2-4(7)8/h5-6,11H,2-4,7-10H2,1H3;1-2H,(H,5,6)(H,7,8).
What are the key properties of but-2-enedioic acid;2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]-4-methylmorpholine?
but-2-enedioic acid;2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]-4-methylmorpholine has a molecular weight of 381.40 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enedioic acid;2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]-4-methylmorpholine is sourced from PubChem (CID 67584301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).