1-chloro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylselanyl)benzene

C12H4ClF13Se — CID 177256158

IUPAC1-chloro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylselanyl)benzene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Se]c1ccc(Cl)cc1
InChIInChI=1S/C12H4ClF13Se/c13-5-1-3-6(4-2-5)27-12(25,26)10(20,21)8(16,17)7(14,15)9(18,19)11(22,23)24/h1-4H
InChIKeyKSYAMVQWUKAEGY-UHFFFAOYSA-N
MW509.55 g/mol
LogP5.37
Rot. Bonds6

About 1-chloro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylselanyl)benzene

1-chloro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylselanyl)benzene (PubChem CID 177256158) has the molecular formula C12H4ClF13Se and a molecular weight of 509.55 g/mol. Its IUPAC name is 1-chloro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylselanyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylselanyl)benzene
PubChem CID177256158
Molecular FormulaC12H4ClF13Se
Molecular Weight509.55 g/mol
Exact Mass509.90
IUPAC Name1-chloro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylselanyl)benzene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Se]c1ccc(Cl)cc1
InChIInChI=1S/C12H4ClF13Se/c13-5-1-3-6(4-2-5)27-12(25,26)10(20,21)8(16,17)7(14,15)9(18,19)11(22,23)24/h1-4H
InChIKeyKSYAMVQWUKAEGY-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.55
LogP ≤ 55.37
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-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylselanyl)benzene?
The IUPAC name of 1-chloro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylselanyl)benzene (CID 177256158) is 1-chloro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylselanyl)benzene.
What is the SMILES notation for 1-chloro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylselanyl)benzene?
The canonical SMILES for 1-chloro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylselanyl)benzene is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Se]c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylselanyl)benzene?
The InChIKey is KSYAMVQWUKAEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4ClF13Se/c13-5-1-3-6(4-2-5)27-12(25,26)10(20,21)8(16,17)7(14,15)9(18,19)11(22,23)24/h1-4H.
What are the key properties of 1-chloro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylselanyl)benzene?
1-chloro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylselanyl)benzene has a molecular weight of 509.55 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylselanyl)benzene is sourced from PubChem (CID 177256158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).