2,2-difluoro-2-[(2-hydroxy-5-iodophenyl)methoxy]acetate

C9H6F2IO4- — CID 162451086

IUPAC2,2-difluoro-2-[(2-hydroxy-5-iodophenyl)methoxy]acetate
SMILESO=C([O-])C(F)(F)OCc1cc(I)ccc1O
InChIInChI=1S/C9H7F2IO4/c10-9(11,8(14)15)16-4-5-3-6(12)1-2-7(5)13/h1-3,13H,4H2,(H,14,15)/p-1
InChIKeyUPPATVZNPCEOJQ-UHFFFAOYSA-M
MW343.04 g/mol
LogP0.86
Rot. Bonds4

About 2,2-difluoro-2-[(2-hydroxy-5-iodophenyl)methoxy]acetate

2,2-difluoro-2-[(2-hydroxy-5-iodophenyl)methoxy]acetate (PubChem CID 162451086) has the molecular formula C9H6F2IO4- and a molecular weight of 343.04 g/mol. Its IUPAC name is 2,2-difluoro-2-[(2-hydroxy-5-iodophenyl)methoxy]acetate.

Molecular Properties

Compound Name2,2-difluoro-2-[(2-hydroxy-5-iodophenyl)methoxy]acetate
PubChem CID162451086
Molecular FormulaC9H6F2IO4-
Molecular Weight343.04 g/mol
Exact Mass342.93
IUPAC Name2,2-difluoro-2-[(2-hydroxy-5-iodophenyl)methoxy]acetate
SMILESO=C([O-])C(F)(F)OCc1cc(I)ccc1O
InChIInChI=1S/C9H7F2IO4/c10-9(11,8(14)15)16-4-5-3-6(12)1-2-7(5)13/h1-3,13H,4H2,(H,14,15)/p-1
InChIKeyUPPATVZNPCEOJQ-UHFFFAOYSA-M
XLogP0.86
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.04
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-2-(4-nitrobutyl)phenol
CID 125493331
2-[2-[3,5-dioxo-5-(2,4,6-triiodophenoxy)pentanoyl]oxyethoxy]-2,2-difluoroacetate
CID 162451033
4-iodo-2-(trifluoromethoxy)phenol
CID 151053566
2-hydroxy-5-iodo-N-(3,3,3-trifluoropropyl)benzamide
CID 103713631
2-bromo-1-[4-iodo-2-(trifluoromethyl)phenyl]ethanone
CID 91882548
1-[4-iodo-2-(trifluoromethyl)phenyl]propan-1-one
CID 118849922
2-(2-ethyl-4-iodophenyl)acetic acid
CID 91883775
2,2-difluoro-2-[4-(2-hydroxy-3,5-diiodobenzoyl)oxyphenoxy]acetate
CID 164747728
N-ethyl-2-hydroxy-5-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 103614051
2-hydroxy-5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 113226775
2-hydroxy-5-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 113246125
3,3,3-trifluoro-2-[(2,4,6-triiodophenoxy)methyl]propanoate
CID 162452188

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[(2-hydroxy-5-iodophenyl)methoxy]acetate?
The IUPAC name of 2,2-difluoro-2-[(2-hydroxy-5-iodophenyl)methoxy]acetate (CID 162451086) is 2,2-difluoro-2-[(2-hydroxy-5-iodophenyl)methoxy]acetate.
What is the SMILES notation for 2,2-difluoro-2-[(2-hydroxy-5-iodophenyl)methoxy]acetate?
The canonical SMILES for 2,2-difluoro-2-[(2-hydroxy-5-iodophenyl)methoxy]acetate is O=C([O-])C(F)(F)OCc1cc(I)ccc1O.
What is the InChIKey of 2,2-difluoro-2-[(2-hydroxy-5-iodophenyl)methoxy]acetate?
The InChIKey is UPPATVZNPCEOJQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H7F2IO4/c10-9(11,8(14)15)16-4-5-3-6(12)1-2-7(5)13/h1-3,13H,4H2,(H,14,15)/p-1.
What are the key properties of 2,2-difluoro-2-[(2-hydroxy-5-iodophenyl)methoxy]acetate?
2,2-difluoro-2-[(2-hydroxy-5-iodophenyl)methoxy]acetate has a molecular weight of 343.04 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[(2-hydroxy-5-iodophenyl)methoxy]acetate is sourced from PubChem (CID 162451086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).