1-[4-(4,7-difluoro-1,3-dioxoisoindol-2-yl)phenyl]cyclobutane-1-carboxylic acid

C19H13F2NO4 — CID 138609292

IUPAC1-[4-(4,7-difluoro-1,3-dioxoisoindol-2-yl)phenyl]cyclobutane-1-carboxylic acid
SMILESO=C1c2c(F)ccc(F)c2C(=O)N1c1ccc(C2(C(=O)O)CCC2)cc1
InChIInChI=1S/C19H13F2NO4/c20-12-6-7-13(21)15-14(12)16(23)22(17(15)24)11-4-2-10(3-5-11)19(18(25)26)8-1-9-19/h2-7H,1,8-9H2,(H,25,26)
InChIKeyZOIVLMVJRBFHNE-UHFFFAOYSA-N
MW357.31 g/mol
LogP3.27
Rot. Bonds3

About 1-[4-(4,7-difluoro-1,3-dioxoisoindol-2-yl)phenyl]cyclobutane-1-carboxylic acid

1-[4-(4,7-difluoro-1,3-dioxoisoindol-2-yl)phenyl]cyclobutane-1-carboxylic acid (PubChem CID 138609292) has the molecular formula C19H13F2NO4 and a molecular weight of 357.31 g/mol. Its IUPAC name is 1-[4-(4,7-difluoro-1,3-dioxoisoindol-2-yl)phenyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(4,7-difluoro-1,3-dioxoisoindol-2-yl)phenyl]cyclobutane-1-carboxylic acid
PubChem CID138609292
Molecular FormulaC19H13F2NO4
Molecular Weight357.31 g/mol
Exact Mass357.08
IUPAC Name1-[4-(4,7-difluoro-1,3-dioxoisoindol-2-yl)phenyl]cyclobutane-1-carboxylic acid
SMILESO=C1c2c(F)ccc(F)c2C(=O)N1c1ccc(C2(C(=O)O)CCC2)cc1
InChIInChI=1S/C19H13F2NO4/c20-12-6-7-13(21)15-14(12)16(23)22(17(15)24)11-4-2-10(3-5-11)19(18(25)26)8-1-9-19/h2-7H,1,8-9H2,(H,25,26)
InChIKeyZOIVLMVJRBFHNE-UHFFFAOYSA-N
XLogP3.27
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 53.27
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

1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038
1-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxylic acid
CID 112558554
1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]cyclopropane-1-carboxylic acid
CID 112557964
1-[4-fluoro-3-(2-fluorophenyl)phenyl]cyclobutane-1-carboxylic acid
CID 117465606
1-pyridin-4-ylcyclobutane-1-carboxylic acid
CID 55265399
1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid
CID 82617664
1-[4-(1-carboxycyclobutyl)phenyl]pyrrolidine-2-carboxylic acid
CID 82537977
1-(3-fluoro-4-methylsulfanylphenyl)cyclobutane-1-carboxylic acid
CID 84800517
1-(4-fluoro-3-phenylphenyl)cyclopentane-1-carboxylic acid
CID 117457844
1-[4-(difluoromethyl)-3-fluorophenyl]cyclobutane-1-carboxylic acid
CID 117361935
1-(4-anilinophenyl)cyclobutane-1-carboxylic acid
CID 82537404
1-(4-fluorophenyl)-3-oxocyclohexane-1-carboxylic acid
CID 118990070

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,7-difluoro-1,3-dioxoisoindol-2-yl)phenyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[4-(4,7-difluoro-1,3-dioxoisoindol-2-yl)phenyl]cyclobutane-1-carboxylic acid (CID 138609292) is 1-[4-(4,7-difluoro-1,3-dioxoisoindol-2-yl)phenyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(4,7-difluoro-1,3-dioxoisoindol-2-yl)phenyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[4-(4,7-difluoro-1,3-dioxoisoindol-2-yl)phenyl]cyclobutane-1-carboxylic acid is O=C1c2c(F)ccc(F)c2C(=O)N1c1ccc(C2(C(=O)O)CCC2)cc1.
What is the InChIKey of 1-[4-(4,7-difluoro-1,3-dioxoisoindol-2-yl)phenyl]cyclobutane-1-carboxylic acid?
The InChIKey is ZOIVLMVJRBFHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2NO4/c20-12-6-7-13(21)15-14(12)16(23)22(17(15)24)11-4-2-10(3-5-11)19(18(25)26)8-1-9-19/h2-7H,1,8-9H2,(H,25,26).
What are the key properties of 1-[4-(4,7-difluoro-1,3-dioxoisoindol-2-yl)phenyl]cyclobutane-1-carboxylic acid?
1-[4-(4,7-difluoro-1,3-dioxoisoindol-2-yl)phenyl]cyclobutane-1-carboxylic acid has a molecular weight of 357.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,7-difluoro-1,3-dioxoisoindol-2-yl)phenyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 138609292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).