1-chloro-3-propan-2-ylbenzene-6-ide;trifluoromethane;uranium(2+)

C10H10ClF3U — CID 154556358

IUPAC1-chloro-3-propan-2-ylbenzene-6-ide;trifluoromethane;uranium(2+)
SMILESCC(C)c1cc[c-]c(Cl)c1.F[C-](F)F.[U+2]
InChIInChI=1S/C9H10Cl.CF3.U/c1-7(2)8-4-3-5-9(10)6-8;2-1(3)4;/h3-4,6-7H,1-2H3;;/q2*-1;+2
InChIKeyBPBROWBYHBVMIA-UHFFFAOYSA-N
MW460.67 g/mol
LogP4.61
Rot. Bonds1

About 1-chloro-3-propan-2-ylbenzene-6-ide;trifluoromethane;uranium(2+)

1-chloro-3-propan-2-ylbenzene-6-ide;trifluoromethane;uranium(2+) (PubChem CID 154556358) has the molecular formula C10H10ClF3U and a molecular weight of 460.67 g/mol. Its IUPAC name is 1-chloro-3-propan-2-ylbenzene-6-ide;trifluoromethane;uranium(2+).

Molecular Properties

Compound Name1-chloro-3-propan-2-ylbenzene-6-ide;trifluoromethane;uranium(2+)
PubChem CID154556358
Molecular FormulaC10H10ClF3U
Molecular Weight460.67 g/mol
Exact Mass460.09
IUPAC Name1-chloro-3-propan-2-ylbenzene-6-ide;trifluoromethane;uranium(2+)
SMILESCC(C)c1cc[c-]c(Cl)c1.F[C-](F)F.[U+2]
InChIInChI=1S/C9H10Cl.CF3.U/c1-7(2)8-4-3-5-9(10)6-8;2-1(3)4;/h3-4,6-7H,1-2H3;;/q2*-1;+2
InChIKeyBPBROWBYHBVMIA-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.67
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-chloro-3-propan-2-ylbenzene-6-ide;trifluoromethane;uranium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-propan-2-ylbenzene-6-ide;trifluoromethane;uranium(2+)?
The IUPAC name of 1-chloro-3-propan-2-ylbenzene-6-ide;trifluoromethane;uranium(2+) (CID 154556358) is 1-chloro-3-propan-2-ylbenzene-6-ide;trifluoromethane;uranium(2+).
What is the SMILES notation for 1-chloro-3-propan-2-ylbenzene-6-ide;trifluoromethane;uranium(2+)?
The canonical SMILES for 1-chloro-3-propan-2-ylbenzene-6-ide;trifluoromethane;uranium(2+) is CC(C)c1cc[c-]c(Cl)c1.F[C-](F)F.[U+2].
What is the InChIKey of 1-chloro-3-propan-2-ylbenzene-6-ide;trifluoromethane;uranium(2+)?
The InChIKey is BPBROWBYHBVMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl.CF3.U/c1-7(2)8-4-3-5-9(10)6-8;2-1(3)4;/h3-4,6-7H,1-2H3;;/q2*-1;+2.
What are the key properties of 1-chloro-3-propan-2-ylbenzene-6-ide;trifluoromethane;uranium(2+)?
1-chloro-3-propan-2-ylbenzene-6-ide;trifluoromethane;uranium(2+) has a molecular weight of 460.67 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-propan-2-ylbenzene-6-ide;trifluoromethane;uranium(2+) is sourced from PubChem (CID 154556358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).