2,2-difluoro-2-(3-methoxyphenyl)acetyl iodide

C9H7F2IO2 — CID 175177821

IUPAC2,2-difluoro-2-(3-methoxyphenyl)acetyl iodide
SMILESCOc1cccc(C(F)(F)C(=O)I)c1
InChIInChI=1S/C9H7F2IO2/c1-14-7-4-2-3-6(5-7)9(10,11)8(12)13/h2-5H,1H3
InChIKeyXRHYUBBOJVLVSE-UHFFFAOYSA-N
MW312.05 g/mol
LogP2.75
Rot. Bonds3

About 2,2-difluoro-2-(3-methoxyphenyl)acetyl iodide

2,2-difluoro-2-(3-methoxyphenyl)acetyl iodide (PubChem CID 175177821) has the molecular formula C9H7F2IO2 and a molecular weight of 312.05 g/mol. Its IUPAC name is 2,2-difluoro-2-(3-methoxyphenyl)acetyl iodide.

Molecular Properties

Compound Name2,2-difluoro-2-(3-methoxyphenyl)acetyl iodide
PubChem CID175177821
Molecular FormulaC9H7F2IO2
Molecular Weight312.05 g/mol
Exact Mass311.95
IUPAC Name2,2-difluoro-2-(3-methoxyphenyl)acetyl iodide
SMILESCOc1cccc(C(F)(F)C(=O)I)c1
InChIInChI=1S/C9H7F2IO2/c1-14-7-4-2-3-6(5-7)9(10,11)8(12)13/h2-5H,1H3
InChIKeyXRHYUBBOJVLVSE-UHFFFAOYSA-N
XLogP2.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.05
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-1-(3-methoxyphenyl)ethanol
CID 174577353
1-(1,1-difluoroethyl)-3-methoxybenzene
CID 116841600
(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
CID 166750619
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methoxybenzene
CID 91442545
2,2-difluoro-2-(3-methoxyphenyl)acetaldehyde
CID 105441968
2,2,2-tris(3-methoxyphenyl)acetamide
CID 174763658
2-(3-methoxyphenyl)-2-methylpropanedioic acid
CID 83536911
1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene
CID 176900068
2-bromo-2-(3-methoxyphenyl)propanoic acid
CID 19795685
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
1-(1,1-difluoro-2-methylpropyl)-3-methoxybenzene
CID 116841485
2-amino-2-(3-methoxyphenyl)propanoic acid
CID 4018837

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(3-methoxyphenyl)acetyl iodide?
The IUPAC name of 2,2-difluoro-2-(3-methoxyphenyl)acetyl iodide (CID 175177821) is 2,2-difluoro-2-(3-methoxyphenyl)acetyl iodide.
What is the SMILES notation for 2,2-difluoro-2-(3-methoxyphenyl)acetyl iodide?
The canonical SMILES for 2,2-difluoro-2-(3-methoxyphenyl)acetyl iodide is COc1cccc(C(F)(F)C(=O)I)c1.
What is the InChIKey of 2,2-difluoro-2-(3-methoxyphenyl)acetyl iodide?
The InChIKey is XRHYUBBOJVLVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2IO2/c1-14-7-4-2-3-6(5-7)9(10,11)8(12)13/h2-5H,1H3.
What are the key properties of 2,2-difluoro-2-(3-methoxyphenyl)acetyl iodide?
2,2-difluoro-2-(3-methoxyphenyl)acetyl iodide has a molecular weight of 312.05 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(3-methoxyphenyl)acetyl iodide is sourced from PubChem (CID 175177821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).