1-chloro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylselanyl)benzene

C10H4ClF9Se — CID 11553307

IUPAC1-chloro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylselanyl)benzene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)[Se]c1ccc(Cl)cc1
InChIInChI=1S/C10H4ClF9Se/c11-5-1-3-6(4-2-5)21-10(19,20)8(14,15)7(12,13)9(16,17)18/h1-4H
InChIKeyAWLQMIWXJXRSPR-UHFFFAOYSA-N
MW409.54 g/mol
LogP4.10
Rot. Bonds4

About 1-chloro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylselanyl)benzene

1-chloro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylselanyl)benzene (PubChem CID 11553307) has the molecular formula C10H4ClF9Se and a molecular weight of 409.54 g/mol. Its IUPAC name is 1-chloro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylselanyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylselanyl)benzene
PubChem CID11553307
Molecular FormulaC10H4ClF9Se
Molecular Weight409.54 g/mol
Exact Mass409.90
IUPAC Name1-chloro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylselanyl)benzene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)[Se]c1ccc(Cl)cc1
InChIInChI=1S/C10H4ClF9Se/c11-5-1-3-6(4-2-5)21-10(19,20)8(14,15)7(12,13)9(16,17)18/h1-4H
InChIKeyAWLQMIWXJXRSPR-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylselanyl)benzene?
The IUPAC name of 1-chloro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylselanyl)benzene (CID 11553307) is 1-chloro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylselanyl)benzene.
What is the SMILES notation for 1-chloro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylselanyl)benzene?
The canonical SMILES for 1-chloro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylselanyl)benzene is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[Se]c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylselanyl)benzene?
The InChIKey is AWLQMIWXJXRSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF9Se/c11-5-1-3-6(4-2-5)21-10(19,20)8(14,15)7(12,13)9(16,17)18/h1-4H.
What are the key properties of 1-chloro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylselanyl)benzene?
1-chloro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylselanyl)benzene has a molecular weight of 409.54 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylselanyl)benzene is sourced from PubChem (CID 11553307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).