1-bromo-2-methoxy-4-(trifluoromethyl)benzene-5-ide;carbanide;yttrium

C9H8BrF3OY-2 — CID 166108114

IUPAC1-bromo-2-methoxy-4-(trifluoromethyl)benzene-5-ide;carbanide;yttrium
SMILESCOc1cc(C(F)(F)F)[c-]cc1Br.[CH3-].[Y]
InChIInChI=1S/C8H5BrF3O.CH3.Y/c1-13-7-4-5(8(10,11)12)2-3-6(7)9;;/h3-4H,1H3;1H3;/q2*-1;
InChIKeySHTYWYCNOBTZDA-UHFFFAOYSA-N
MW357.97 g/mol
LogP3.72
Rot. Bonds1

About 1-bromo-2-methoxy-4-(trifluoromethyl)benzene-5-ide;carbanide;yttrium

1-bromo-2-methoxy-4-(trifluoromethyl)benzene-5-ide;carbanide;yttrium (PubChem CID 166108114) has the molecular formula C9H8BrF3OY-2 and a molecular weight of 357.97 g/mol. Its IUPAC name is 1-bromo-2-methoxy-4-(trifluoromethyl)benzene-5-ide;carbanide;yttrium.

Molecular Properties

Compound Name1-bromo-2-methoxy-4-(trifluoromethyl)benzene-5-ide;carbanide;yttrium
PubChem CID166108114
Molecular FormulaC9H8BrF3OY-2
Molecular Weight357.97 g/mol
Exact Mass356.88
IUPAC Name1-bromo-2-methoxy-4-(trifluoromethyl)benzene-5-ide;carbanide;yttrium
SMILESCOc1cc(C(F)(F)F)[c-]cc1Br.[CH3-].[Y]
InChIInChI=1S/C8H5BrF3O.CH3.Y/c1-13-7-4-5(8(10,11)12)2-3-6(7)9;;/h3-4H,1H3;1H3;/q2*-1;
InChIKeySHTYWYCNOBTZDA-UHFFFAOYSA-N
XLogP3.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.97
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-bromo-2-methoxy-4-(trifluoromethyl)benzene-5-ide;carbanide;yttrium?
The IUPAC name of 1-bromo-2-methoxy-4-(trifluoromethyl)benzene-5-ide;carbanide;yttrium (CID 166108114) is 1-bromo-2-methoxy-4-(trifluoromethyl)benzene-5-ide;carbanide;yttrium.
What is the SMILES notation for 1-bromo-2-methoxy-4-(trifluoromethyl)benzene-5-ide;carbanide;yttrium?
The canonical SMILES for 1-bromo-2-methoxy-4-(trifluoromethyl)benzene-5-ide;carbanide;yttrium is COc1cc(C(F)(F)F)[c-]cc1Br.[CH3-].[Y].
What is the InChIKey of 1-bromo-2-methoxy-4-(trifluoromethyl)benzene-5-ide;carbanide;yttrium?
The InChIKey is SHTYWYCNOBTZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3O.CH3.Y/c1-13-7-4-5(8(10,11)12)2-3-6(7)9;;/h3-4H,1H3;1H3;/q2*-1;.
What are the key properties of 1-bromo-2-methoxy-4-(trifluoromethyl)benzene-5-ide;carbanide;yttrium?
1-bromo-2-methoxy-4-(trifluoromethyl)benzene-5-ide;carbanide;yttrium has a molecular weight of 357.97 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methoxy-4-(trifluoromethyl)benzene-5-ide;carbanide;yttrium is sourced from PubChem (CID 166108114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).