4-fluorophthalate

C8H3FO4-2 — CID 36688510

IUPAC4-fluorophthalate
SMILESO=C([O-])c1ccc(F)cc1C(=O)[O-]
InChIInChI=1S/C8H5FO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)/p-2
InChIKeyOMCXTFVBNCFZMY-UHFFFAOYSA-L
MW182.11 g/mol
LogP-1.45
Rot. Bonds2

About 4-fluorophthalate

4-fluorophthalate (PubChem CID 36688510) has the molecular formula C8H3FO4-2 and a molecular weight of 182.11 g/mol. Its IUPAC name is 4-fluorophthalate.

Molecular Properties

Compound Name4-fluorophthalate
PubChem CID36688510
Molecular FormulaC8H3FO4-2
Molecular Weight182.11 g/mol
Exact Mass182.00
IUPAC Name4-fluorophthalate
SMILESO=C([O-])c1ccc(F)cc1C(=O)[O-]
InChIInChI=1S/C8H5FO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)/p-2
InChIKeyOMCXTFVBNCFZMY-UHFFFAOYSA-L
XLogP-1.45
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.11
LogP ≤ 5-1.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dipotassium;4-(4-fluorobenzoyl)benzene-1,3-dicarboxylate
CID 101195591
benzene;benzene-1,2,4-tricarboxylate
CID 19097982
dipotassium;4-methylphthalate
CID 140576906
2-(2,4-difluorobenzoyl)propanedioate
CID 19379742
2-(4-fluorobenzoyl)benzoate
CID 5082940
2-chloro-4-(2,4-difluorophenyl)benzoate
CID 86307272
2-acetyl-5-fluorobenzoic acid
CID 117279010
1-(5-fluoro-2-phosphanylphenyl)ethanone
CID 145488080
trisodium;4-sulfonatophthalate
CID 169446663
bis(4-fluoro-2-hydroxyphenyl)methanone
CID 125469613
2-chloro-4-(3-fluorophenyl)benzoate
CID 86307112
disilver;phthalate
CID 21449237

Frequently Asked Questions

What is the IUPAC name of 4-fluorophthalate?
The IUPAC name of 4-fluorophthalate (CID 36688510) is 4-fluorophthalate.
What is the SMILES notation for 4-fluorophthalate?
The canonical SMILES for 4-fluorophthalate is O=C([O-])c1ccc(F)cc1C(=O)[O-].
What is the InChIKey of 4-fluorophthalate?
The InChIKey is OMCXTFVBNCFZMY-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H5FO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)/p-2.
What are the key properties of 4-fluorophthalate?
4-fluorophthalate has a molecular weight of 182.11 g/mol, XLogP of -1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorophthalate is sourced from PubChem (CID 36688510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).