methyl 2-fluoro-5-iodo-4-(methoxymethoxy)benzoate

C10H10FIO4 — CID 141498075

IUPACmethyl 2-fluoro-5-iodo-4-(methoxymethoxy)benzoate
SMILESCOCOc1cc(F)c(C(=O)OC)cc1I
InChIInChI=1S/C10H10FIO4/c1-14-5-16-9-4-7(11)6(3-8(9)12)10(13)15-2/h3-4H,5H2,1-2H3
InChIKeyXAXHQNKQGFASOW-UHFFFAOYSA-N
MW340.09 g/mol
LogP2.20
Rot. Bonds4

About methyl 2-fluoro-5-iodo-4-(methoxymethoxy)benzoate

methyl 2-fluoro-5-iodo-4-(methoxymethoxy)benzoate (PubChem CID 141498075) has the molecular formula C10H10FIO4 and a molecular weight of 340.09 g/mol. Its IUPAC name is methyl 2-fluoro-5-iodo-4-(methoxymethoxy)benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-5-iodo-4-(methoxymethoxy)benzoate
PubChem CID141498075
Molecular FormulaC10H10FIO4
Molecular Weight340.09 g/mol
Exact Mass339.96
IUPAC Namemethyl 2-fluoro-5-iodo-4-(methoxymethoxy)benzoate
SMILESCOCOc1cc(F)c(C(=O)OC)cc1I
InChIInChI=1S/C10H10FIO4/c1-14-5-16-9-4-7(11)6(3-8(9)12)10(13)15-2/h3-4H,5H2,1-2H3
InChIKeyXAXHQNKQGFASOW-UHFFFAOYSA-N
XLogP2.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.09
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 5-ethyl-2-fluoro-4-(methoxymethoxy)benzoate
CID 67979097
1-[5-iodo-2,4-bis(methoxymethoxy)phenyl]ethanone
CID 102126873
2-(5-fluoro-2-iodo-4-methoxycarbonylphenyl)acetic acid
CID 86703767
methyl 2-fluoro-4,5-dimethoxybenzoate
CID 86155175
methyl 5-chloro-2,4-bis(methoxymethoxy)benzoate
CID 57440512
1-[4,5-difluoro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone
CID 164895048
methyl 5-amino-2-(methoxymethoxy)benzoate
CID 106955744
methyl 5-iodo-2-methyl-4-prop-2-enoxybenzoate
CID 102014904
methyl 2,5-difluoro-4-octoxybenzoate
CID 59683709
methyl 2-fluoro-5-iodobenzoate
CID 24820379
methyl 4,5-diiodo-2-methoxybenzoate
CID 130877100
3-(2-fluoro-5-iodo-4-methoxyphenyl)-3-oxopropanal
CID 88989326

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-5-iodo-4-(methoxymethoxy)benzoate?
The IUPAC name of methyl 2-fluoro-5-iodo-4-(methoxymethoxy)benzoate (CID 141498075) is methyl 2-fluoro-5-iodo-4-(methoxymethoxy)benzoate.
What is the SMILES notation for methyl 2-fluoro-5-iodo-4-(methoxymethoxy)benzoate?
The canonical SMILES for methyl 2-fluoro-5-iodo-4-(methoxymethoxy)benzoate is COCOc1cc(F)c(C(=O)OC)cc1I.
What is the InChIKey of methyl 2-fluoro-5-iodo-4-(methoxymethoxy)benzoate?
The InChIKey is XAXHQNKQGFASOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FIO4/c1-14-5-16-9-4-7(11)6(3-8(9)12)10(13)15-2/h3-4H,5H2,1-2H3.
What are the key properties of methyl 2-fluoro-5-iodo-4-(methoxymethoxy)benzoate?
methyl 2-fluoro-5-iodo-4-(methoxymethoxy)benzoate has a molecular weight of 340.09 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-5-iodo-4-(methoxymethoxy)benzoate is sourced from PubChem (CID 141498075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).