4-bromo-1-(4-fluorophenyl)-2-(trifluoromethyl)benzene

C13H7BrF4 — CID 164893029

IUPAC4-bromo-1-(4-fluorophenyl)-2-(trifluoromethyl)benzene
SMILESFc1ccc(-c2ccc(Br)cc2C(F)(F)F)cc1
InChIInChI=1S/C13H7BrF4/c14-9-3-6-11(12(7-9)13(16,17)18)8-1-4-10(15)5-2-8/h1-7H
InChIKeyIUVRESAOBOVDTH-UHFFFAOYSA-N
MW319.10 g/mol
LogP5.27
Rot. Bonds1

About 4-bromo-1-(4-fluorophenyl)-2-(trifluoromethyl)benzene

4-bromo-1-(4-fluorophenyl)-2-(trifluoromethyl)benzene (PubChem CID 164893029) has the molecular formula C13H7BrF4 and a molecular weight of 319.10 g/mol. Its IUPAC name is 4-bromo-1-(4-fluorophenyl)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-bromo-1-(4-fluorophenyl)-2-(trifluoromethyl)benzene
PubChem CID164893029
Molecular FormulaC13H7BrF4
Molecular Weight319.10 g/mol
Exact Mass317.97
IUPAC Name4-bromo-1-(4-fluorophenyl)-2-(trifluoromethyl)benzene
SMILESFc1ccc(-c2ccc(Br)cc2C(F)(F)F)cc1
InChIInChI=1S/C13H7BrF4/c14-9-3-6-11(12(7-9)13(16,17)18)8-1-4-10(15)5-2-8/h1-7H
InChIKeyIUVRESAOBOVDTH-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.10
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-bromo-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzene
CID 164894616
1-(4-bromophenyl)-2,4-bis(trifluoromethyl)benzene
CID 173271329
4-bromo-1-(4-fluorophenyl)-2-methylbenzene
CID 67156128
4-bromo-1-[bromo-(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene
CID 107333360
1-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2,4-difluorobenzene
CID 107333370
1,5-dibromo-2-(4-fluorophenyl)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
CID 173054838
4-(4-bromophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 125457222
1-[3-(bromomethyl)phenyl]-4-fluoro-2-(trifluoromethyl)benzene
CID 118086167
4-bromo-1,2-bis(4-bromophenyl)benzene
CID 54378809
3-N-[4-(4-fluorophenyl)-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 118632483
5-(4-bromo-2-fluorophenyl)-1,3-difluoro-2-(trifluoromethyl)benzene
CID 150640435
formic acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene
CID 174724121

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-fluorophenyl)-2-(trifluoromethyl)benzene?
The IUPAC name of 4-bromo-1-(4-fluorophenyl)-2-(trifluoromethyl)benzene (CID 164893029) is 4-bromo-1-(4-fluorophenyl)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-bromo-1-(4-fluorophenyl)-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-bromo-1-(4-fluorophenyl)-2-(trifluoromethyl)benzene is Fc1ccc(-c2ccc(Br)cc2C(F)(F)F)cc1.
What is the InChIKey of 4-bromo-1-(4-fluorophenyl)-2-(trifluoromethyl)benzene?
The InChIKey is IUVRESAOBOVDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF4/c14-9-3-6-11(12(7-9)13(16,17)18)8-1-4-10(15)5-2-8/h1-7H.
What are the key properties of 4-bromo-1-(4-fluorophenyl)-2-(trifluoromethyl)benzene?
4-bromo-1-(4-fluorophenyl)-2-(trifluoromethyl)benzene has a molecular weight of 319.10 g/mol, XLogP of 5.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-fluorophenyl)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 164893029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).