methyl 2-[4-(6-fluoronaphthalen-2-yl)iodanuidylphenyl]acetate

C19H15FIO2- — CID 140867701

IUPACmethyl 2-[4-(6-fluoronaphthalen-2-yl)iodanuidylphenyl]acetate
SMILESCOC(=O)Cc1ccc([I-]c2ccc3cc(F)ccc3c2)cc1
InChIInChI=1S/C19H15FIO2/c1-23-19(22)10-13-2-7-17(8-3-13)21-18-9-5-14-11-16(20)6-4-15(14)12-18/h2-9,11-12H,10H2,1H3/q-1
InChIKeyTWPLEOMSNXYGMB-UHFFFAOYSA-N
MW421.23 g/mol
LogP0.82
Rot. Bonds4

About methyl 2-[4-(6-fluoronaphthalen-2-yl)iodanuidylphenyl]acetate

methyl 2-[4-(6-fluoronaphthalen-2-yl)iodanuidylphenyl]acetate (PubChem CID 140867701) has the molecular formula C19H15FIO2- and a molecular weight of 421.23 g/mol. Its IUPAC name is methyl 2-[4-(6-fluoronaphthalen-2-yl)iodanuidylphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(6-fluoronaphthalen-2-yl)iodanuidylphenyl]acetate
PubChem CID140867701
Molecular FormulaC19H15FIO2-
Molecular Weight421.23 g/mol
Exact Mass421.01
IUPAC Namemethyl 2-[4-(6-fluoronaphthalen-2-yl)iodanuidylphenyl]acetate
SMILESCOC(=O)Cc1ccc([I-]c2ccc3cc(F)ccc3c2)cc1
InChIInChI=1S/C19H15FIO2/c1-23-19(22)10-13-2-7-17(8-3-13)21-18-9-5-14-11-16(20)6-4-15(14)12-18/h2-9,11-12H,10H2,1H3/q-1
InChIKeyTWPLEOMSNXYGMB-UHFFFAOYSA-N
XLogP0.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.23
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(6-fluoronaphthalen-2-yl)iodanuidylphenyl]acetate?
The IUPAC name of methyl 2-[4-(6-fluoronaphthalen-2-yl)iodanuidylphenyl]acetate (CID 140867701) is methyl 2-[4-(6-fluoronaphthalen-2-yl)iodanuidylphenyl]acetate.
What is the SMILES notation for methyl 2-[4-(6-fluoronaphthalen-2-yl)iodanuidylphenyl]acetate?
The canonical SMILES for methyl 2-[4-(6-fluoronaphthalen-2-yl)iodanuidylphenyl]acetate is COC(=O)Cc1ccc([I-]c2ccc3cc(F)ccc3c2)cc1.
What is the InChIKey of methyl 2-[4-(6-fluoronaphthalen-2-yl)iodanuidylphenyl]acetate?
The InChIKey is TWPLEOMSNXYGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FIO2/c1-23-19(22)10-13-2-7-17(8-3-13)21-18-9-5-14-11-16(20)6-4-15(14)12-18/h2-9,11-12H,10H2,1H3/q-1.
What are the key properties of methyl 2-[4-(6-fluoronaphthalen-2-yl)iodanuidylphenyl]acetate?
methyl 2-[4-(6-fluoronaphthalen-2-yl)iodanuidylphenyl]acetate has a molecular weight of 421.23 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(6-fluoronaphthalen-2-yl)iodanuidylphenyl]acetate is sourced from PubChem (CID 140867701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).