5-fluoro-3-iodo-2-propan-2-yloxybenzoic acid

C10H10FIO3 — CID 100582842

IUPAC5-fluoro-3-iodo-2-propan-2-yloxybenzoic acid
SMILESCC(C)Oc1c(I)cc(F)cc1C(=O)O
InChIInChI=1S/C10H10FIO3/c1-5(2)15-9-7(10(13)14)3-6(11)4-8(9)12/h3-5H,1-2H3,(H,13,14)
InChIKeyBXPCMQBOHRNFMQ-UHFFFAOYSA-N
MW324.09 g/mol
LogP2.92
Rot. Bonds3

About 5-fluoro-3-iodo-2-propan-2-yloxybenzoic acid

5-fluoro-3-iodo-2-propan-2-yloxybenzoic acid (PubChem CID 100582842) has the molecular formula C10H10FIO3 and a molecular weight of 324.09 g/mol. Its IUPAC name is 5-fluoro-3-iodo-2-propan-2-yloxybenzoic acid.

Molecular Properties

Compound Name5-fluoro-3-iodo-2-propan-2-yloxybenzoic acid
PubChem CID100582842
Molecular FormulaC10H10FIO3
Molecular Weight324.09 g/mol
Exact Mass323.97
IUPAC Name5-fluoro-3-iodo-2-propan-2-yloxybenzoic acid
SMILESCC(C)Oc1c(I)cc(F)cc1C(=O)O
InChIInChI=1S/C10H10FIO3/c1-5(2)15-9-7(10(13)14)3-6(11)4-8(9)12/h3-5H,1-2H3,(H,13,14)
InChIKeyBXPCMQBOHRNFMQ-UHFFFAOYSA-N
XLogP2.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.09
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-5-iodo-2-propan-2-yloxybenzoic acid
CID 100583810
2-chloro-5-iodo-4-propan-2-yloxybenzoic acid
CID 58801717
5-fluoro-2-trimethylsilylbenzene-1,3-dicarboxylic acid
CID 178095906
2-bromo-1-(5-fluoro-3-iodo-2-methoxyphenyl)ethanone
CID 171022554
2-fluoro-5-methyl-3-propan-2-yloxybenzoic acid
CID 164893503
5-chloro-4-fluoro-2-propan-2-yloxybenzoic acid
CID 118331973
2-acetyl-4-fluoro-6-iodobenzaldehyde
CID 171008976
6-methoxy-1-propan-2-yloxynaphthalene-2-carboxylic acid
CID 14256753
3-acetamido-2-acetyloxy-5-fluorobenzoic acid
CID 121377018
1-[5-bromo-2-(difluoromethoxy)-3-iodophenyl]ethanone
CID 131597785
3,5-dibromo-4-propan-2-yloxybenzoic acid
CID 67041563
5-fluoro-2-methyl-3-methylsulfanylbenzoic acid
CID 164895491

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-iodo-2-propan-2-yloxybenzoic acid?
The IUPAC name of 5-fluoro-3-iodo-2-propan-2-yloxybenzoic acid (CID 100582842) is 5-fluoro-3-iodo-2-propan-2-yloxybenzoic acid.
What is the SMILES notation for 5-fluoro-3-iodo-2-propan-2-yloxybenzoic acid?
The canonical SMILES for 5-fluoro-3-iodo-2-propan-2-yloxybenzoic acid is CC(C)Oc1c(I)cc(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-3-iodo-2-propan-2-yloxybenzoic acid?
The InChIKey is BXPCMQBOHRNFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FIO3/c1-5(2)15-9-7(10(13)14)3-6(11)4-8(9)12/h3-5H,1-2H3,(H,13,14).
What are the key properties of 5-fluoro-3-iodo-2-propan-2-yloxybenzoic acid?
5-fluoro-3-iodo-2-propan-2-yloxybenzoic acid has a molecular weight of 324.09 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-iodo-2-propan-2-yloxybenzoic acid is sourced from PubChem (CID 100582842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).