4-(4-bromophenyl)-1-fluoro-2-(trifluoromethyl)benzene

C13H7BrF4 — CID 125457222

IUPAC4-(4-bromophenyl)-1-fluoro-2-(trifluoromethyl)benzene
SMILESFc1ccc(-c2ccc(Br)cc2)cc1C(F)(F)F
InChIInChI=1S/C13H7BrF4/c14-10-4-1-8(2-5-10)9-3-6-12(15)11(7-9)13(16,17)18/h1-7H
InChIKeyPRMPMGAYABPIKR-UHFFFAOYSA-N
MW319.10 g/mol
LogP5.27
Rot. Bonds1

About 4-(4-bromophenyl)-1-fluoro-2-(trifluoromethyl)benzene

4-(4-bromophenyl)-1-fluoro-2-(trifluoromethyl)benzene (PubChem CID 125457222) has the molecular formula C13H7BrF4 and a molecular weight of 319.10 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-fluoro-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-fluoro-2-(trifluoromethyl)benzene
PubChem CID125457222
Molecular FormulaC13H7BrF4
Molecular Weight319.10 g/mol
Exact Mass317.97
IUPAC Name4-(4-bromophenyl)-1-fluoro-2-(trifluoromethyl)benzene
SMILESFc1ccc(-c2ccc(Br)cc2)cc1C(F)(F)F
InChIInChI=1S/C13H7BrF4/c14-10-4-1-8(2-5-10)9-3-6-12(15)11(7-9)13(16,17)18/h1-7H
InChIKeyPRMPMGAYABPIKR-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

2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline
CID 107289637
(1S)-1-(4-bromophenyl)ethanamine;[4-fluoro-3-(trifluoromethyl)phenyl]boronic acid;(1S)-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 161247838
4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 45156540
ethane;1-fluoro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene
CID 169205433
[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methylidenehydrazine
CID 168529818
1-fluoro-4-[4-isocyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 20824744
6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 64723741
2-chloro-4-[4-fluoro-3-(trifluoromethyl)phenyl]phenol
CID 53221517
2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene
CID 21026890
5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 25184302
1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134623705
2-chloro-4-[4-fluoro-3-(trifluoromethyl)phenyl]benzaldehyde
CID 107289689

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-fluoro-2-(trifluoromethyl)benzene?
The IUPAC name of 4-(4-bromophenyl)-1-fluoro-2-(trifluoromethyl)benzene (CID 125457222) is 4-(4-bromophenyl)-1-fluoro-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-(4-bromophenyl)-1-fluoro-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-(4-bromophenyl)-1-fluoro-2-(trifluoromethyl)benzene is Fc1ccc(-c2ccc(Br)cc2)cc1C(F)(F)F.
What is the InChIKey of 4-(4-bromophenyl)-1-fluoro-2-(trifluoromethyl)benzene?
The InChIKey is PRMPMGAYABPIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF4/c14-10-4-1-8(2-5-10)9-3-6-12(15)11(7-9)13(16,17)18/h1-7H.
What are the key properties of 4-(4-bromophenyl)-1-fluoro-2-(trifluoromethyl)benzene?
4-(4-bromophenyl)-1-fluoro-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-(4-bromophenyl)-1-fluoro-2-(trifluoromethyl)benzene is sourced from PubChem (CID 125457222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).