[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(difluoromethoxy)benzoate

C17H23F2NO4 — CID 78830796

IUPAC[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(difluoromethoxy)benzoate
SMILESCC(C)CN1CCOC(COC(=O)c2cccc(OC(F)F)c2)C1
InChIInChI=1S/C17H23F2NO4/c1-12(2)9-20-6-7-22-15(10-20)11-23-16(21)13-4-3-5-14(8-13)24-17(18)19/h3-5,8,12,15,17H,6-7,9-11H2,1-2H3
InChIKeyCXLWLHXNDKYJRS-UHFFFAOYSA-N
MW343.37 g/mol
LogP2.80
Rot. Bonds7

About [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(difluoromethoxy)benzoate

[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(difluoromethoxy)benzoate (PubChem CID 78830796) has the molecular formula C17H23F2NO4 and a molecular weight of 343.37 g/mol. Its IUPAC name is [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(difluoromethoxy)benzoate
PubChem CID78830796
Molecular FormulaC17H23F2NO4
Molecular Weight343.37 g/mol
Exact Mass343.16
IUPAC Name[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(difluoromethoxy)benzoate
SMILESCC(C)CN1CCOC(COC(=O)c2cccc(OC(F)F)c2)C1
InChIInChI=1S/C17H23F2NO4/c1-12(2)9-20-6-7-22-15(10-20)11-23-16(21)13-4-3-5-14(8-13)24-17(18)19/h3-5,8,12,15,17H,6-7,9-11H2,1-2H3
InChIKeyCXLWLHXNDKYJRS-UHFFFAOYSA-N
XLogP2.80
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(difluoromethoxy)benzoate with MolForge

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Related Compounds

[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-fluorophenyl)propanoate
CID 78831870
[4-(2-methylpropyl)morpholin-2-yl]methyl 4-(2-oxopiperidin-1-yl)benzoate
CID 78831849
[4-(2-methylpropyl)morpholin-2-yl]methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 78825962
[4-(2-methylpropyl)morpholin-2-yl]methyl 4,5-dichloro-1H-pyrrole-2-carboxylate
CID 78846665
[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-methylphenyl)propanoate
CID 78831866
(2-methylcyclopropyl)methyl 3-(difluoromethoxy)benzoate
CID 86889974
[(2R)-4-benzylmorpholin-2-yl]methyl benzoate
CID 54346550
3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 35361039
[4-(2-methylpropyl)morpholin-2-yl]methyl cyclobutanecarboxylate
CID 78832861
[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 9380725
[4-(2-methylpropyl)morpholin-2-yl]methyl (E)-3-(2-methoxy-5-methylphenyl)prop-2-enoate
CID 78831837
(4-ethylmorpholin-2-yl)methyl 3-amino-4-bromobenzoate
CID 79182900

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(difluoromethoxy)benzoate?
The IUPAC name of [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(difluoromethoxy)benzoate (CID 78830796) is [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(difluoromethoxy)benzoate.
What is the SMILES notation for [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(difluoromethoxy)benzoate?
The canonical SMILES for [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(difluoromethoxy)benzoate is CC(C)CN1CCOC(COC(=O)c2cccc(OC(F)F)c2)C1.
What is the InChIKey of [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(difluoromethoxy)benzoate?
The InChIKey is CXLWLHXNDKYJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO4/c1-12(2)9-20-6-7-22-15(10-20)11-23-16(21)13-4-3-5-14(8-13)24-17(18)19/h3-5,8,12,15,17H,6-7,9-11H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(difluoromethoxy)benzoate?
[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(difluoromethoxy)benzoate has a molecular weight of 343.37 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(difluoromethoxy)benzoate is sourced from PubChem (CID 78830796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).