methyl 2,3,3,3-tetrafluoro-2-(5-iodo-2-methoxyphenyl)propanoate

C11H9F4IO3 — CID 73427483

IUPACmethyl 2,3,3,3-tetrafluoro-2-(5-iodo-2-methoxyphenyl)propanoate
SMILESCOC(=O)C(F)(c1cc(I)ccc1OC)C(F)(F)F
InChIInChI=1S/C11H9F4IO3/c1-18-8-4-3-6(16)5-7(8)10(12,9(17)19-2)11(13,14)15/h3-5H,1-2H3
InChIKeyUKGXGZLPQXSNFJ-UHFFFAOYSA-N
MW392.09 g/mol
LogP3.20
Rot. Bonds3

About methyl 2,3,3,3-tetrafluoro-2-(5-iodo-2-methoxyphenyl)propanoate

methyl 2,3,3,3-tetrafluoro-2-(5-iodo-2-methoxyphenyl)propanoate (PubChem CID 73427483) has the molecular formula C11H9F4IO3 and a molecular weight of 392.09 g/mol. Its IUPAC name is methyl 2,3,3,3-tetrafluoro-2-(5-iodo-2-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2,3,3,3-tetrafluoro-2-(5-iodo-2-methoxyphenyl)propanoate
PubChem CID73427483
Molecular FormulaC11H9F4IO3
Molecular Weight392.09 g/mol
Exact Mass391.95
IUPAC Namemethyl 2,3,3,3-tetrafluoro-2-(5-iodo-2-methoxyphenyl)propanoate
SMILESCOC(=O)C(F)(c1cc(I)ccc1OC)C(F)(F)F
InChIInChI=1S/C11H9F4IO3/c1-18-8-4-3-6(16)5-7(8)10(12,9(17)19-2)11(13,14)15/h3-5H,1-2H3
InChIKeyUKGXGZLPQXSNFJ-UHFFFAOYSA-N
XLogP3.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.09
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(5-bromo-2-methoxyphenyl)-2,3,3,3-tetrafluoropropanoate
CID 73427434
3-(5-iodo-2-methoxyphenyl)-3-methylbutanoic acid
CID 79830010
N-(5-iodo-2-methoxyphenyl)acetamide
CID 11737859
methyl 2,2-difluoro-2-(4-iodophenyl)acetate
CID 71045669
4-iodo-1-methoxy-2-(trifluoromethoxy)benzene
CID 68685486
methyl 4-methoxy-3-(trifluoromethyl)benzoate
CID 19360538
2-hydroxy-4-(4-iodo-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentanamide
CID 141062161
1-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one
CID 146008941
methyl 3-(5-iodo-2-methoxyphenyl)propanoate
CID 82552102
(5-iodo-2-methoxyphenyl)-(4-iodophenyl)methanone
CID 43339710
(5-iodo-2-methoxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43339738
5-iodo-2-methoxy-N-methylaniline
CID 82267247

Frequently Asked Questions

What is the IUPAC name of methyl 2,3,3,3-tetrafluoro-2-(5-iodo-2-methoxyphenyl)propanoate?
The IUPAC name of methyl 2,3,3,3-tetrafluoro-2-(5-iodo-2-methoxyphenyl)propanoate (CID 73427483) is methyl 2,3,3,3-tetrafluoro-2-(5-iodo-2-methoxyphenyl)propanoate.
What is the SMILES notation for methyl 2,3,3,3-tetrafluoro-2-(5-iodo-2-methoxyphenyl)propanoate?
The canonical SMILES for methyl 2,3,3,3-tetrafluoro-2-(5-iodo-2-methoxyphenyl)propanoate is COC(=O)C(F)(c1cc(I)ccc1OC)C(F)(F)F.
What is the InChIKey of methyl 2,3,3,3-tetrafluoro-2-(5-iodo-2-methoxyphenyl)propanoate?
The InChIKey is UKGXGZLPQXSNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4IO3/c1-18-8-4-3-6(16)5-7(8)10(12,9(17)19-2)11(13,14)15/h3-5H,1-2H3.
What are the key properties of methyl 2,3,3,3-tetrafluoro-2-(5-iodo-2-methoxyphenyl)propanoate?
methyl 2,3,3,3-tetrafluoro-2-(5-iodo-2-methoxyphenyl)propanoate has a molecular weight of 392.09 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3,3,3-tetrafluoro-2-(5-iodo-2-methoxyphenyl)propanoate is sourced from PubChem (CID 73427483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).