2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid

C14H15F2NO4 — CID 82798384

IUPAC2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid
SMILESCc1ccc(F)c(C(=O)N2CCOC(CC(=O)O)C2)c1F
InChIInChI=1S/C14H15F2NO4/c1-8-2-3-10(15)12(13(8)16)14(20)17-4-5-21-9(7-17)6-11(18)19/h2-3,9H,4-7H2,1H3,(H,18,19)
InChIKeyYYTSQGPPOMLXOI-UHFFFAOYSA-N
MW299.27 g/mol
LogP1.59
Rot. Bonds3

About 2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid

2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid (PubChem CID 82798384) has the molecular formula C14H15F2NO4 and a molecular weight of 299.27 g/mol. Its IUPAC name is 2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid
PubChem CID82798384
Molecular FormulaC14H15F2NO4
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid
SMILESCc1ccc(F)c(C(=O)N2CCOC(CC(=O)O)C2)c1F
InChIInChI=1S/C14H15F2NO4/c1-8-2-3-10(15)12(13(8)16)14(20)17-4-5-21-9(7-17)6-11(18)19/h2-3,9H,4-7H2,1H3,(H,18,19)
InChIKeyYYTSQGPPOMLXOI-UHFFFAOYSA-N
XLogP1.59
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66421551
2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid
CID 66435743
2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345
2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 124695384
4-(2,6-difluoro-3-methylbenzoyl)morpholine-2-carbonitrile
CID 82814599
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694
2-[(2S)-4-[4-(3,4,5-trifluorophenyl)benzoyl]morpholin-2-yl]acetic acid
CID 124702697
2-[4-(3-iodo-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 119247963
2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid
CID 66434587
2-[4-(5-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66420781
(2,6-difluoro-3-nitrophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 103740582

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid (CID 82798384) is 2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid is Cc1ccc(F)c(C(=O)N2CCOC(CC(=O)O)C2)c1F.
What is the InChIKey of 2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid?
The InChIKey is YYTSQGPPOMLXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO4/c1-8-2-3-10(15)12(13(8)16)14(20)17-4-5-21-9(7-17)6-11(18)19/h2-3,9H,4-7H2,1H3,(H,18,19).
What are the key properties of 2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid?
2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid has a molecular weight of 299.27 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 82798384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).