2-[2-oxo-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]acetic acid

C10H12F3NO4 — CID 114489709

IUPAC2-[2-oxo-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]acetic acid
SMILESO=C(O)COCC(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C10H12F3NO4/c11-10(12,13)7-1-3-14(4-2-7)8(15)5-18-6-9(16)17/h1H,2-6H2,(H,16,17)
InChIKeyDASZRWPRBGEAMH-UHFFFAOYSA-N
MW267.20 g/mol
LogP0.81
Rot. Bonds4

About 2-[2-oxo-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]acetic acid

2-[2-oxo-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]acetic acid (PubChem CID 114489709) has the molecular formula C10H12F3NO4 and a molecular weight of 267.20 g/mol. Its IUPAC name is 2-[2-oxo-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]acetic acid
PubChem CID114489709
Molecular FormulaC10H12F3NO4
Molecular Weight267.20 g/mol
Exact Mass267.07
IUPAC Name2-[2-oxo-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]acetic acid
SMILESO=C(O)COCC(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C10H12F3NO4/c11-10(12,13)7-1-3-14(4-2-7)8(15)5-18-6-9(16)17/h1H,2-6H2,(H,16,17)
InChIKeyDASZRWPRBGEAMH-UHFFFAOYSA-N
XLogP0.81
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 113339661
2-[2-oxo-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]ethoxy]acetic acid
CID 114490300
2-[2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]ethoxy]acetic acid
CID 114490479
ethyl 2-oxo-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetate
CID 114490493
2-ethoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 115772131
2-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethoxy]acetic acid
CID 106313409
2-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethoxy]acetic acid
CID 114408032
2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethoxy]acetic acid
CID 114408091

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]acetic acid?
The IUPAC name of 2-[2-oxo-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]acetic acid (CID 114489709) is 2-[2-oxo-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-oxo-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]acetic acid?
The canonical SMILES for 2-[2-oxo-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]acetic acid is O=C(O)COCC(=O)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 2-[2-oxo-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]acetic acid?
The InChIKey is DASZRWPRBGEAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO4/c11-10(12,13)7-1-3-14(4-2-7)8(15)5-18-6-9(16)17/h1H,2-6H2,(H,16,17).
What are the key properties of 2-[2-oxo-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]acetic acid?
2-[2-oxo-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]acetic acid has a molecular weight of 267.20 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]acetic acid is sourced from PubChem (CID 114489709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).