1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene

C20H14BrF3 — CID 154308793

IUPAC1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C(Br)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H14BrF3/c21-19(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-18(14-12-17)20(22,23)24/h1-14H
InChIKeyPDXIZXAVLLWTNB-UHFFFAOYSA-N
MW391.23 g/mol
LogP6.39
Rot. Bonds3

About 1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene

1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene (PubChem CID 154308793) has the molecular formula C20H14BrF3 and a molecular weight of 391.23 g/mol. Its IUPAC name is 1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene
PubChem CID154308793
Molecular FormulaC20H14BrF3
Molecular Weight391.23 g/mol
Exact Mass390.02
IUPAC Name1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C(Br)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H14BrF3/c21-19(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-18(14-12-17)20(22,23)24/h1-14H
InChIKeyPDXIZXAVLLWTNB-UHFFFAOYSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.23
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene (CID 154308793) is 1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc(C(Br)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene?
The InChIKey is PDXIZXAVLLWTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrF3/c21-19(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-18(14-12-17)20(22,23)24/h1-14H.
What are the key properties of 1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene?
1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene has a molecular weight of 391.23 g/mol, XLogP of 6.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 154308793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).