tris(2,3,4,5,6-pentafluorophenyl)gallane

C18F15Ga — CID 15492934

IUPACtris(2,3,4,5,6-pentafluorophenyl)gallane
SMILESFc1c(F)c(F)c([Ga](c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/3C6F5.Ga/c3*7-2-1-3(8)5(10)6(11)4(2)9;
InChIKeyPRRYCPZRJOKSOX-UHFFFAOYSA-N
MW570.89 g/mol
LogP4.29
Rot. Bonds3

About tris(2,3,4,5,6-pentafluorophenyl)gallane

tris(2,3,4,5,6-pentafluorophenyl)gallane (PubChem CID 15492934) has the molecular formula C18F15Ga and a molecular weight of 570.89 g/mol. Its IUPAC name is tris(2,3,4,5,6-pentafluorophenyl)gallane.

Molecular Properties

Compound Nametris(2,3,4,5,6-pentafluorophenyl)gallane
PubChem CID15492934
Molecular FormulaC18F15Ga
Molecular Weight570.89 g/mol
Exact Mass569.90
IUPAC Nametris(2,3,4,5,6-pentafluorophenyl)gallane
SMILESFc1c(F)c(F)c([Ga](c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/3C6F5.Ga/c3*7-2-1-3(8)5(10)6(11)4(2)9;
InChIKeyPRRYCPZRJOKSOX-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.89
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(2,3,4,5,6-pentafluorophenyl)gallane?
The IUPAC name of tris(2,3,4,5,6-pentafluorophenyl)gallane (CID 15492934) is tris(2,3,4,5,6-pentafluorophenyl)gallane.
What is the SMILES notation for tris(2,3,4,5,6-pentafluorophenyl)gallane?
The canonical SMILES for tris(2,3,4,5,6-pentafluorophenyl)gallane is Fc1c(F)c(F)c([Ga](c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of tris(2,3,4,5,6-pentafluorophenyl)gallane?
The InChIKey is PRRYCPZRJOKSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6F5.Ga/c3*7-2-1-3(8)5(10)6(11)4(2)9;.
What are the key properties of tris(2,3,4,5,6-pentafluorophenyl)gallane?
tris(2,3,4,5,6-pentafluorophenyl)gallane has a molecular weight of 570.89 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,3,4,5,6-pentafluorophenyl)gallane is sourced from PubChem (CID 15492934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).