1,2-difluoro-3-(2-iodopropan-2-yloxy)-4-methylbenzene

C10H11F2IO — CID 155096274

IUPAC1,2-difluoro-3-(2-iodopropan-2-yloxy)-4-methylbenzene
SMILESCc1ccc(F)c(F)c1OC(C)(C)I
InChIInChI=1S/C10H11F2IO/c1-6-4-5-7(11)8(12)9(6)14-10(2,3)13/h4-5H,1-3H3
InChIKeyQNBQHQSXXNPFLG-UHFFFAOYSA-N
MW312.10 g/mol
LogP3.82
Rot. Bonds2

About 1,2-difluoro-3-(2-iodopropan-2-yloxy)-4-methylbenzene

1,2-difluoro-3-(2-iodopropan-2-yloxy)-4-methylbenzene (PubChem CID 155096274) has the molecular formula C10H11F2IO and a molecular weight of 312.10 g/mol. Its IUPAC name is 1,2-difluoro-3-(2-iodopropan-2-yloxy)-4-methylbenzene.

Molecular Properties

Compound Name1,2-difluoro-3-(2-iodopropan-2-yloxy)-4-methylbenzene
PubChem CID155096274
Molecular FormulaC10H11F2IO
Molecular Weight312.10 g/mol
Exact Mass311.98
IUPAC Name1,2-difluoro-3-(2-iodopropan-2-yloxy)-4-methylbenzene
SMILESCc1ccc(F)c(F)c1OC(C)(C)I
InChIInChI=1S/C10H11F2IO/c1-6-4-5-7(11)8(12)9(6)14-10(2,3)13/h4-5H,1-3H3
InChIKeyQNBQHQSXXNPFLG-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.10
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-(2-iodopropan-2-yloxy)-4-methylbenzene?
The IUPAC name of 1,2-difluoro-3-(2-iodopropan-2-yloxy)-4-methylbenzene (CID 155096274) is 1,2-difluoro-3-(2-iodopropan-2-yloxy)-4-methylbenzene.
What is the SMILES notation for 1,2-difluoro-3-(2-iodopropan-2-yloxy)-4-methylbenzene?
The canonical SMILES for 1,2-difluoro-3-(2-iodopropan-2-yloxy)-4-methylbenzene is Cc1ccc(F)c(F)c1OC(C)(C)I.
What is the InChIKey of 1,2-difluoro-3-(2-iodopropan-2-yloxy)-4-methylbenzene?
The InChIKey is QNBQHQSXXNPFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2IO/c1-6-4-5-7(11)8(12)9(6)14-10(2,3)13/h4-5H,1-3H3.
What are the key properties of 1,2-difluoro-3-(2-iodopropan-2-yloxy)-4-methylbenzene?
1,2-difluoro-3-(2-iodopropan-2-yloxy)-4-methylbenzene has a molecular weight of 312.10 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-(2-iodopropan-2-yloxy)-4-methylbenzene is sourced from PubChem (CID 155096274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).