2,2-difluoro-3-[(4-iodophenyl)methoxy]propanoic acid

C10H9F2IO3 — CID 170235329

IUPAC2,2-difluoro-3-[(4-iodophenyl)methoxy]propanoic acid
SMILESO=C(O)C(F)(F)COCc1ccc(I)cc1
InChIInChI=1S/C10H9F2IO3/c11-10(12,9(14)15)6-16-5-7-1-3-8(13)4-2-7/h1-4H,5-6H2,(H,14,15)
InChIKeyGWMDPTOOCFUEEK-UHFFFAOYSA-N
MW342.08 g/mol
LogP2.53
Rot. Bonds5

About 2,2-difluoro-3-[(4-iodophenyl)methoxy]propanoic acid

2,2-difluoro-3-[(4-iodophenyl)methoxy]propanoic acid (PubChem CID 170235329) has the molecular formula C10H9F2IO3 and a molecular weight of 342.08 g/mol. Its IUPAC name is 2,2-difluoro-3-[(4-iodophenyl)methoxy]propanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-[(4-iodophenyl)methoxy]propanoic acid
PubChem CID170235329
Molecular FormulaC10H9F2IO3
Molecular Weight342.08 g/mol
Exact Mass341.96
IUPAC Name2,2-difluoro-3-[(4-iodophenyl)methoxy]propanoic acid
SMILESO=C(O)C(F)(F)COCc1ccc(I)cc1
InChIInChI=1S/C10H9F2IO3/c11-10(12,9(14)15)6-16-5-7-1-3-8(13)4-2-7/h1-4H,5-6H2,(H,14,15)
InChIKeyGWMDPTOOCFUEEK-UHFFFAOYSA-N
XLogP2.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.08
LogP ≤ 52.53
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

2-fluoro-2-(phenylmethoxymethyl)propanedioic acid
CID 67878922
3-[(4-iodophenyl)methoxy]-2,2-dimethylpropan-1-ol
CID 81217476
1-[(4-iodophenyl)methoxy]-2-methylpropan-2-amine
CID 65476413
1-iodo-4-(8,8,8-trifluorooctoxymethyl)benzene
CID 54310842
1-(4-iodophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-one
CID 103214128
4-(2,2,3,3-tetrafluoropropoxymethyl)benzoic acid
CID 890262
1,1,1-trifluoro-4-(4-iodophenyl)butan-2-one
CID 117047036
2,2-dimethyl-3-phenylmethoxypropanoic acid
CID 13478288
4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 91641393
2-[4-(3,3,3-trifluoropropoxymethyl)phenyl]acetic acid
CID 105345021
methyl 4-(2,2,2-trifluoroethoxymethyl)benzoate;4-(2,2,2-trifluoroethoxymethyl)benzoic acid
CID 159461011
1-benzyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24664664

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(4-iodophenyl)methoxy]propanoic acid?
The IUPAC name of 2,2-difluoro-3-[(4-iodophenyl)methoxy]propanoic acid (CID 170235329) is 2,2-difluoro-3-[(4-iodophenyl)methoxy]propanoic acid.
What is the SMILES notation for 2,2-difluoro-3-[(4-iodophenyl)methoxy]propanoic acid?
The canonical SMILES for 2,2-difluoro-3-[(4-iodophenyl)methoxy]propanoic acid is O=C(O)C(F)(F)COCc1ccc(I)cc1.
What is the InChIKey of 2,2-difluoro-3-[(4-iodophenyl)methoxy]propanoic acid?
The InChIKey is GWMDPTOOCFUEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2IO3/c11-10(12,9(14)15)6-16-5-7-1-3-8(13)4-2-7/h1-4H,5-6H2,(H,14,15).
What are the key properties of 2,2-difluoro-3-[(4-iodophenyl)methoxy]propanoic acid?
2,2-difluoro-3-[(4-iodophenyl)methoxy]propanoic acid has a molecular weight of 342.08 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(4-iodophenyl)methoxy]propanoic acid is sourced from PubChem (CID 170235329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).