1-iodo-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)benzene

C10H4F9IO — CID 20658832

IUPAC1-iodo-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)benzene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)Oc1ccccc1I
InChIInChI=1S/C10H4F9IO/c11-7(12,9(15,16)17)8(13,14)10(18,19)21-6-4-2-1-3-5(6)20/h1-4H
InChIKeyHMIDVFVMRIVENZ-UHFFFAOYSA-N
MW438.03 g/mol
LogP5.10
Rot. Bonds4

About 1-iodo-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)benzene

1-iodo-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)benzene (PubChem CID 20658832) has the molecular formula C10H4F9IO and a molecular weight of 438.03 g/mol. Its IUPAC name is 1-iodo-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)benzene.

Molecular Properties

Compound Name1-iodo-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)benzene
PubChem CID20658832
Molecular FormulaC10H4F9IO
Molecular Weight438.03 g/mol
Exact Mass437.92
IUPAC Name1-iodo-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)benzene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)Oc1ccccc1I
InChIInChI=1S/C10H4F9IO/c11-7(12,9(15,16)17)8(13,14)10(18,19)21-6-4-2-1-3-5(6)20/h1-4H
InChIKeyHMIDVFVMRIVENZ-UHFFFAOYSA-N
XLogP5.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.03
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)benzene?
The IUPAC name of 1-iodo-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)benzene (CID 20658832) is 1-iodo-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)benzene.
What is the SMILES notation for 1-iodo-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)benzene?
The canonical SMILES for 1-iodo-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)benzene is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)Oc1ccccc1I.
What is the InChIKey of 1-iodo-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)benzene?
The InChIKey is HMIDVFVMRIVENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F9IO/c11-7(12,9(15,16)17)8(13,14)10(18,19)21-6-4-2-1-3-5(6)20/h1-4H.
What are the key properties of 1-iodo-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)benzene?
1-iodo-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)benzene has a molecular weight of 438.03 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)benzene is sourced from PubChem (CID 20658832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).