2-(5-fluoro-2-iodo-4-methoxycarbonylphenyl)acetic acid

C10H8FIO4 — CID 86703767

IUPAC2-(5-fluoro-2-iodo-4-methoxycarbonylphenyl)acetic acid
SMILESCOC(=O)c1cc(I)c(CC(=O)O)cc1F
InChIInChI=1S/C10H8FIO4/c1-16-10(15)6-4-8(12)5(2-7(6)11)3-9(13)14/h2,4H,3H2,1H3,(H,13,14)
InChIKeyCQXYSYDOQLDLNK-UHFFFAOYSA-N
MW338.07 g/mol
LogP1.84
Rot. Bonds3

About 2-(5-fluoro-2-iodo-4-methoxycarbonylphenyl)acetic acid

2-(5-fluoro-2-iodo-4-methoxycarbonylphenyl)acetic acid (PubChem CID 86703767) has the molecular formula C10H8FIO4 and a molecular weight of 338.07 g/mol. Its IUPAC name is 2-(5-fluoro-2-iodo-4-methoxycarbonylphenyl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-iodo-4-methoxycarbonylphenyl)acetic acid
PubChem CID86703767
Molecular FormulaC10H8FIO4
Molecular Weight338.07 g/mol
Exact Mass337.95
IUPAC Name2-(5-fluoro-2-iodo-4-methoxycarbonylphenyl)acetic acid
SMILESCOC(=O)c1cc(I)c(CC(=O)O)cc1F
InChIInChI=1S/C10H8FIO4/c1-16-10(15)6-4-8(12)5(2-7(6)11)3-9(13)14/h2,4H,3H2,1H3,(H,13,14)
InChIKeyCQXYSYDOQLDLNK-UHFFFAOYSA-N
XLogP1.84
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.07
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-fluoro-5-iodo-4-(methoxymethoxy)benzoate
CID 141498075
methyl 2-fluoro-5-iodobenzoate
CID 24820379
2-(4-ethoxycarbonyl-2,5-difluorophenyl)acetic acid
CID 10444484
methyl 2-fluoro-4,5-dimethoxybenzoate
CID 86155175
methyl 4-bromo-5-fluoro-2-iodobenzoate
CID 130516007
methyl 6-fluoro-1,3-benzodioxole-5-carboxylate
CID 166609696
methyl 5-ethyl-2-fluoro-4-(methoxymethoxy)benzoate
CID 67979097
methyl 4,5-diiodo-2-methoxybenzoate
CID 130877100
methyl 2-(chloromethyl)-4-fluoro-5-methylbenzoate
CID 171020390
methyl 5-bromo-4-fluoro-2-(hydroxymethyl)benzoate
CID 163395449
methyl 5-[(2,4-difluoro-5-methoxycarbonylphenyl)carbamoylamino]-2,4-difluorobenzoate
CID 139215222
methyl 2,5-difluoro-4-nitrosobenzoate
CID 145120849

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-iodo-4-methoxycarbonylphenyl)acetic acid?
The IUPAC name of 2-(5-fluoro-2-iodo-4-methoxycarbonylphenyl)acetic acid (CID 86703767) is 2-(5-fluoro-2-iodo-4-methoxycarbonylphenyl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-2-iodo-4-methoxycarbonylphenyl)acetic acid?
The canonical SMILES for 2-(5-fluoro-2-iodo-4-methoxycarbonylphenyl)acetic acid is COC(=O)c1cc(I)c(CC(=O)O)cc1F.
What is the InChIKey of 2-(5-fluoro-2-iodo-4-methoxycarbonylphenyl)acetic acid?
The InChIKey is CQXYSYDOQLDLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FIO4/c1-16-10(15)6-4-8(12)5(2-7(6)11)3-9(13)14/h2,4H,3H2,1H3,(H,13,14).
What are the key properties of 2-(5-fluoro-2-iodo-4-methoxycarbonylphenyl)acetic acid?
2-(5-fluoro-2-iodo-4-methoxycarbonylphenyl)acetic acid has a molecular weight of 338.07 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-iodo-4-methoxycarbonylphenyl)acetic acid is sourced from PubChem (CID 86703767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).