2-[4-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid

C13H15F2NO5S — CID 119248261

IUPAC2-[4-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid
SMILESCc1cc(OC(F)F)c(C(=O)N2CCOC(CC(=O)O)C2)s1
InChIInChI=1S/C13H15F2NO5S/c1-7-4-9(21-13(14)15)11(22-7)12(19)16-2-3-20-8(6-16)5-10(17)18/h4,8,13H,2-3,5-6H2,1H3,(H,17,18)
InChIKeyHQKGIGBYEQRJMB-UHFFFAOYSA-N
MW335.33 g/mol
LogP1.97
Rot. Bonds5

About 2-[4-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid

2-[4-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 119248261) has the molecular formula C13H15F2NO5S and a molecular weight of 335.33 g/mol. Its IUPAC name is 2-[4-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid
PubChem CID119248261
Molecular FormulaC13H15F2NO5S
Molecular Weight335.33 g/mol
Exact Mass335.06
IUPAC Name2-[4-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid
SMILESCc1cc(OC(F)F)c(C(=O)N2CCOC(CC(=O)O)C2)s1
InChIInChI=1S/C13H15F2NO5S/c1-7-4-9(21-13(14)15)11(22-7)12(19)16-2-3-20-8(6-16)5-10(17)18/h4,8,13H,2-3,5-6H2,1H3,(H,17,18)
InChIKeyHQKGIGBYEQRJMB-UHFFFAOYSA-N
XLogP1.97
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-4-(3-methyl-1-benzothiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 124697788
2-[(2S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 124515375
2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 124695384
2-[4-(4-methylthiadiazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 66420176
2-[(2S)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 129465784
2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82798384
2-[(2S)-4-(3-propan-2-ylthiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 124682778
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
2-[4-(4-methoxy-2-propan-2-yloxybenzoyl)morpholin-2-yl]acetic acid
CID 120687891
2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66421551
2-[4-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 119247628
2-[4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 120527656

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid (CID 119248261) is 2-[4-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid is Cc1cc(OC(F)F)c(C(=O)N2CCOC(CC(=O)O)C2)s1.
What is the InChIKey of 2-[4-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is HQKGIGBYEQRJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO5S/c1-7-4-9(21-13(14)15)11(22-7)12(19)16-2-3-20-8(6-16)5-10(17)18/h4,8,13H,2-3,5-6H2,1H3,(H,17,18).
What are the key properties of 2-[4-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid?
2-[4-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 335.33 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).