2-fluoro-3-iodobenzoate

C7H3FIO2- — CID 34174491

IUPAC2-fluoro-3-iodobenzoate
SMILESO=C([O-])c1cccc(I)c1F
InChIInChI=1S/C7H4FIO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,(H,10,11)/p-1
InChIKeyFVLHWICBHZCKED-UHFFFAOYSA-M
MW265.00 g/mol
LogP0.79
Rot. Bonds1

About 2-fluoro-3-iodobenzoate

2-fluoro-3-iodobenzoate (PubChem CID 34174491) has the molecular formula C7H3FIO2- and a molecular weight of 265.00 g/mol. Its IUPAC name is 2-fluoro-3-iodobenzoate.

Molecular Properties

Compound Name2-fluoro-3-iodobenzoate
PubChem CID34174491
Molecular FormulaC7H3FIO2-
Molecular Weight265.00 g/mol
Exact Mass264.92
IUPAC Name2-fluoro-3-iodobenzoate
SMILESO=C([O-])c1cccc(I)c1F
InChIInChI=1S/C7H4FIO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,(H,10,11)/p-1
InChIKeyFVLHWICBHZCKED-UHFFFAOYSA-M
XLogP0.79
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.00
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-fluoro-3-iodophenyl)-pyrrolidin-1-ylmethanone
CID 164895955
3-ethoxy-2-fluorobenzoate
CID 86306838
lithium 2-fluorobenzoate
CID 19205780
2-[[(2-iodobenzoyl)amino]carbamoyl]benzoate
CID 3622064
pentakis(lead(2+));phthalate
CID 173427098
disilver;phthalate
CID 21449237
trimagnesium;phthalate
CID 142758668
lead(2+) dihydride;phthalate
CID 155293254
nickel(2+);phthalate
CID 15798393
3-(2-fluoro-3-iodophenyl)prop-2-enoic acid
CID 175002597
trimagnesium bis(benzene-1,2,3-tricarboxylate)
CID 67068179
[3-(dimethylamino)azetidin-1-yl]-(2-fluoro-3-iodophenyl)methanone
CID 172646755

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-iodobenzoate?
The IUPAC name of 2-fluoro-3-iodobenzoate (CID 34174491) is 2-fluoro-3-iodobenzoate.
What is the SMILES notation for 2-fluoro-3-iodobenzoate?
The canonical SMILES for 2-fluoro-3-iodobenzoate is O=C([O-])c1cccc(I)c1F.
What is the InChIKey of 2-fluoro-3-iodobenzoate?
The InChIKey is FVLHWICBHZCKED-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H4FIO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,(H,10,11)/p-1.
What are the key properties of 2-fluoro-3-iodobenzoate?
2-fluoro-3-iodobenzoate has a molecular weight of 265.00 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-iodobenzoate is sourced from PubChem (CID 34174491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).