3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4-fluorobenzoic acid

C14H14FNO4 — CID 62930025

IUPAC3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4-fluorobenzoic acid
SMILESCC1(C)CC(=O)N(c2cc(C(=O)O)ccc2F)C(=O)C1
InChIInChI=1S/C14H14FNO4/c1-14(2)6-11(17)16(12(18)7-14)10-5-8(13(19)20)3-4-9(10)15/h3-5H,6-7H2,1-2H3,(H,19,20)
InChIKeyAQVPZGCLNLTBBF-UHFFFAOYSA-N
MW279.27 g/mol
LogP2.20
Rot. Bonds2

About 3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4-fluorobenzoic acid

3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4-fluorobenzoic acid (PubChem CID 62930025) has the molecular formula C14H14FNO4 and a molecular weight of 279.27 g/mol. Its IUPAC name is 3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4-fluorobenzoic acid.

Molecular Properties

Compound Name3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4-fluorobenzoic acid
PubChem CID62930025
Molecular FormulaC14H14FNO4
Molecular Weight279.27 g/mol
Exact Mass279.09
IUPAC Name3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4-fluorobenzoic acid
SMILESCC1(C)CC(=O)N(c2cc(C(=O)O)ccc2F)C(=O)C1
InChIInChI=1S/C14H14FNO4/c1-14(2)6-11(17)16(12(18)7-14)10-5-8(13(19)20)3-4-9(10)15/h3-5H,6-7H2,1-2H3,(H,19,20)
InChIKeyAQVPZGCLNLTBBF-UHFFFAOYSA-N
XLogP2.20
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dioxopyrrolidin-1-yl)-4-fluorobenzoic acid
CID 60828364
4-fluoro-3-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)benzoic acid
CID 60828845
3-(3,5-dioxomorpholin-4-yl)-4-fluorobenzoic acid
CID 61326992
1-(5-amino-2-fluorophenyl)-4,4-dimethylpiperidine-2,6-dione
CID 62930708
3-(1,3-dioxoisoindol-2-yl)-4-fluorobenzoic acid
CID 60828530
3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-4-fluorobenzoic acid
CID 103979266
3-(5-azaspiro[2.3]hexan-5-yl)-4-fluorobenzoic acid
CID 79694414
3-(2,5-dihydropyrrol-1-yl)-4-fluorobenzoic acid
CID 64680605
3-(3,5-dioxo-1,2,4-triazolidin-4-yl)-4-fluorobenzoic acid
CID 107409437
3-bromo-4-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]benzoic acid
CID 102766198
3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-4-fluorobenzoic acid
CID 168660594
1-(2,5-difluorophenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 47015641

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4-fluorobenzoic acid?
The IUPAC name of 3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4-fluorobenzoic acid (CID 62930025) is 3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4-fluorobenzoic acid.
What is the SMILES notation for 3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4-fluorobenzoic acid?
The canonical SMILES for 3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4-fluorobenzoic acid is CC1(C)CC(=O)N(c2cc(C(=O)O)ccc2F)C(=O)C1.
What is the InChIKey of 3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4-fluorobenzoic acid?
The InChIKey is AQVPZGCLNLTBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO4/c1-14(2)6-11(17)16(12(18)7-14)10-5-8(13(19)20)3-4-9(10)15/h3-5H,6-7H2,1-2H3,(H,19,20).
What are the key properties of 3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4-fluorobenzoic acid?
3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4-fluorobenzoic acid has a molecular weight of 279.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-4-fluorobenzoic acid is sourced from PubChem (CID 62930025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).