carbanide;2-fluoro-1,4-dimethylbenzene;bis(1,4-xylene);yttrium

C25H32FY- — CID 159178199

IUPACcarbanide;2-fluoro-1,4-dimethylbenzene;bis(1,4-xylene);yttrium
SMILESCc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.[CH3-].[Y]
InChIInChI=1S/C8H9F.2C8H10.CH3.Y/c1-6-3-4-7(2)8(9)5-6;2*1-7-3-5-8(2)6-4-7;;/h3-5H,1-2H3;2*3-6H,1-2H3;1H3;/q;;;-1;
InChIKeyLYBJDSRGSTWZRJ-UHFFFAOYSA-N
MW440.44 g/mol
LogP7.50
Rot. Bonds

About carbanide;2-fluoro-1,4-dimethylbenzene;bis(1,4-xylene);yttrium

carbanide;2-fluoro-1,4-dimethylbenzene;bis(1,4-xylene);yttrium (PubChem CID 159178199) has the molecular formula C25H32FY- and a molecular weight of 440.44 g/mol. Its IUPAC name is carbanide;2-fluoro-1,4-dimethylbenzene;bis(1,4-xylene);yttrium.

Molecular Properties

Compound Namecarbanide;2-fluoro-1,4-dimethylbenzene;bis(1,4-xylene);yttrium
PubChem CID159178199
Molecular FormulaC25H32FY-
Molecular Weight440.44 g/mol
Exact Mass440.16
IUPAC Namecarbanide;2-fluoro-1,4-dimethylbenzene;bis(1,4-xylene);yttrium
SMILESCc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.[CH3-].[Y]
InChIInChI=1S/C8H9F.2C8H10.CH3.Y/c1-6-3-4-7(2)8(9)5-6;2*1-7-3-5-8(2)6-4-7;;/h3-5H,1-2H3;2*3-6H,1-2H3;1H3;/q;;;-1;
InChIKeyLYBJDSRGSTWZRJ-UHFFFAOYSA-N
XLogP7.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.44
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;2-fluoro-1,4-dimethylbenzene;bis(1,4-xylene);yttrium?
The IUPAC name of carbanide;2-fluoro-1,4-dimethylbenzene;bis(1,4-xylene);yttrium (CID 159178199) is carbanide;2-fluoro-1,4-dimethylbenzene;bis(1,4-xylene);yttrium.
What is the SMILES notation for carbanide;2-fluoro-1,4-dimethylbenzene;bis(1,4-xylene);yttrium?
The canonical SMILES for carbanide;2-fluoro-1,4-dimethylbenzene;bis(1,4-xylene);yttrium is Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.[CH3-].[Y].
What is the InChIKey of carbanide;2-fluoro-1,4-dimethylbenzene;bis(1,4-xylene);yttrium?
The InChIKey is LYBJDSRGSTWZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F.2C8H10.CH3.Y/c1-6-3-4-7(2)8(9)5-6;2*1-7-3-5-8(2)6-4-7;;/h3-5H,1-2H3;2*3-6H,1-2H3;1H3;/q;;;-1;.
What are the key properties of carbanide;2-fluoro-1,4-dimethylbenzene;bis(1,4-xylene);yttrium?
carbanide;2-fluoro-1,4-dimethylbenzene;bis(1,4-xylene);yttrium has a molecular weight of 440.44 g/mol, XLogP of 7.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-fluoro-1,4-dimethylbenzene;bis(1,4-xylene);yttrium is sourced from PubChem (CID 159178199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).