[2,3-dibromo-2-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-dimethyl-phenylsilane

C18H17Br2F3OSi — CID 166445007

IUPAC[2,3-dibromo-2-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-dimethyl-phenylsilane
SMILESC[Si](C)(OC1(C(F)(F)F)C(Br)C1(Br)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H17Br2F3OSi/c1-25(2,14-11-7-4-8-12-14)24-17(18(21,22)23)15(19)16(17,20)13-9-5-3-6-10-13/h3-12,15H,1-2H3
InChIKeyLDCSUCJRNUZJBM-UHFFFAOYSA-N
MW494.22 g/mol
LogP5.48
Rot. Bonds4

About [2,3-dibromo-2-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-dimethyl-phenylsilane

[2,3-dibromo-2-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-dimethyl-phenylsilane (PubChem CID 166445007) has the molecular formula C18H17Br2F3OSi and a molecular weight of 494.22 g/mol. Its IUPAC name is [2,3-dibromo-2-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-dimethyl-phenylsilane.

Molecular Properties

Compound Name[2,3-dibromo-2-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-dimethyl-phenylsilane
PubChem CID166445007
Molecular FormulaC18H17Br2F3OSi
Molecular Weight494.22 g/mol
Exact Mass491.94
IUPAC Name[2,3-dibromo-2-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-dimethyl-phenylsilane
SMILESC[Si](C)(OC1(C(F)(F)F)C(Br)C1(Br)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H17Br2F3OSi/c1-25(2,14-11-7-4-8-12-14)24-17(18(21,22)23)15(19)16(17,20)13-9-5-3-6-10-13/h3-12,15H,1-2H3
InChIKeyLDCSUCJRNUZJBM-UHFFFAOYSA-N
XLogP5.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.22
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,3-dibromo-2-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-dimethyl-phenylsilane?
The IUPAC name of [2,3-dibromo-2-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-dimethyl-phenylsilane (CID 166445007) is [2,3-dibromo-2-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-dimethyl-phenylsilane.
What is the SMILES notation for [2,3-dibromo-2-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-dimethyl-phenylsilane?
The canonical SMILES for [2,3-dibromo-2-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-dimethyl-phenylsilane is C[Si](C)(OC1(C(F)(F)F)C(Br)C1(Br)c1ccccc1)c1ccccc1.
What is the InChIKey of [2,3-dibromo-2-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-dimethyl-phenylsilane?
The InChIKey is LDCSUCJRNUZJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Br2F3OSi/c1-25(2,14-11-7-4-8-12-14)24-17(18(21,22)23)15(19)16(17,20)13-9-5-3-6-10-13/h3-12,15H,1-2H3.
What are the key properties of [2,3-dibromo-2-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-dimethyl-phenylsilane?
[2,3-dibromo-2-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-dimethyl-phenylsilane has a molecular weight of 494.22 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dibromo-2-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-dimethyl-phenylsilane is sourced from PubChem (CID 166445007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).