4-[3-(difluoromethoxy)-4-methoxybenzoyl]morpholine-2-carboxylic acid

C14H15F2NO6 — CID 119238801

IUPAC4-[3-(difluoromethoxy)-4-methoxybenzoyl]morpholine-2-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCOC(C(=O)O)C2)cc1OC(F)F
InChIInChI=1S/C14H15F2NO6/c1-21-9-3-2-8(6-10(9)23-14(15)16)12(18)17-4-5-22-11(7-17)13(19)20/h2-3,6,11,14H,4-5,7H2,1H3,(H,19,20)
InChIKeyRNKOMLRMGGSTLE-UHFFFAOYSA-N
MW331.27 g/mol
LogP1.22
Rot. Bonds5

About 4-[3-(difluoromethoxy)-4-methoxybenzoyl]morpholine-2-carboxylic acid

4-[3-(difluoromethoxy)-4-methoxybenzoyl]morpholine-2-carboxylic acid (PubChem CID 119238801) has the molecular formula C14H15F2NO6 and a molecular weight of 331.27 g/mol. Its IUPAC name is 4-[3-(difluoromethoxy)-4-methoxybenzoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(difluoromethoxy)-4-methoxybenzoyl]morpholine-2-carboxylic acid
PubChem CID119238801
Molecular FormulaC14H15F2NO6
Molecular Weight331.27 g/mol
Exact Mass331.09
IUPAC Name4-[3-(difluoromethoxy)-4-methoxybenzoyl]morpholine-2-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCOC(C(=O)O)C2)cc1OC(F)F
InChIInChI=1S/C14H15F2NO6/c1-21-9-3-2-8(6-10(9)23-14(15)16)12(18)17-4-5-22-11(7-17)13(19)20/h2-3,6,11,14H,4-5,7H2,1H3,(H,19,20)
InChIKeyRNKOMLRMGGSTLE-UHFFFAOYSA-N
XLogP1.22
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-methoxy-4-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid
CID 119357851
(2R)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholine-2-carboxylic acid
CID 129466116
4-(3-methoxy-4-prop-2-enoxybenzoyl)morpholine-2-carboxylic acid
CID 119239104
4-(3-fluoro-4-methoxybenzoyl)morpholine-2-carbothioamide
CID 79675182
4-[4-methoxy-3-(methylsulfamoyl)benzoyl]morpholine-2-carboxylic acid
CID 119239861
(3S,4S)-1-[4-(difluoromethoxy)-3-methoxybenzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952594
(3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 16894714
[3-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride
CID 119594083
methyl 4-(3-amino-4-methoxybenzoyl)morpholine-2-carboxylate
CID 115533204
[2-(chloromethyl)morpholin-4-yl]-(3,4-dimethoxyphenyl)methanone
CID 81210339
4-(3-iodo-4-methylbenzoyl)morpholine-2-carboxylic acid
CID 119239111
4-(4-chloro-3-methylbenzoyl)morpholine-2-carboxylic acid
CID 113265061

Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethoxy)-4-methoxybenzoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[3-(difluoromethoxy)-4-methoxybenzoyl]morpholine-2-carboxylic acid (CID 119238801) is 4-[3-(difluoromethoxy)-4-methoxybenzoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(difluoromethoxy)-4-methoxybenzoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[3-(difluoromethoxy)-4-methoxybenzoyl]morpholine-2-carboxylic acid is COc1ccc(C(=O)N2CCOC(C(=O)O)C2)cc1OC(F)F.
What is the InChIKey of 4-[3-(difluoromethoxy)-4-methoxybenzoyl]morpholine-2-carboxylic acid?
The InChIKey is RNKOMLRMGGSTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO6/c1-21-9-3-2-8(6-10(9)23-14(15)16)12(18)17-4-5-22-11(7-17)13(19)20/h2-3,6,11,14H,4-5,7H2,1H3,(H,19,20).
What are the key properties of 4-[3-(difluoromethoxy)-4-methoxybenzoyl]morpholine-2-carboxylic acid?
4-[3-(difluoromethoxy)-4-methoxybenzoyl]morpholine-2-carboxylic acid has a molecular weight of 331.27 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethoxy)-4-methoxybenzoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119238801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).