1-bromo-3-(3-methylphenyl)-5-(trifluoromethyl)benzene

C14H10BrF3 — CID 54289546

IUPAC1-bromo-3-(3-methylphenyl)-5-(trifluoromethyl)benzene
SMILESCc1cccc(-c2cc(Br)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H10BrF3/c1-9-3-2-4-10(5-9)11-6-12(14(16,17)18)8-13(15)7-11/h2-8H,1H3
InChIKeySPXUJCUCOSTHGC-UHFFFAOYSA-N
MW315.13 g/mol
LogP5.44
Rot. Bonds1

About 1-bromo-3-(3-methylphenyl)-5-(trifluoromethyl)benzene

1-bromo-3-(3-methylphenyl)-5-(trifluoromethyl)benzene (PubChem CID 54289546) has the molecular formula C14H10BrF3 and a molecular weight of 315.13 g/mol. Its IUPAC name is 1-bromo-3-(3-methylphenyl)-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(3-methylphenyl)-5-(trifluoromethyl)benzene
PubChem CID54289546
Molecular FormulaC14H10BrF3
Molecular Weight315.13 g/mol
Exact Mass313.99
IUPAC Name1-bromo-3-(3-methylphenyl)-5-(trifluoromethyl)benzene
SMILESCc1cccc(-c2cc(Br)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H10BrF3/c1-9-3-2-4-10(5-9)11-6-12(14(16,17)18)8-13(15)7-11/h2-8H,1H3
InChIKeySPXUJCUCOSTHGC-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.13
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[3-bromo-5-(trifluoromethyl)phenyl]pyridine
CID 174924855
3-(3-methylphenyl)-5-(trifluoromethyl)pyridine
CID 59578611
1-methyl-3-phenyl-5-(trifluoromethyl)benzene
CID 46315073
2,6-bis(3-methylphenyl)-4-(trifluoromethyl)pyridine
CID 163288516
1-methyl-3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzene
CID 169072366
[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]methanamine
CID 129154957
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
2-(3,5-dibromophenyl)-4,6-bis(3-methylphenyl)-1,3,5-triazine
CID 59510678
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
CID 91161720
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(3-methylphenyl)-5-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-3-(3-methylphenyl)-5-(trifluoromethyl)benzene (CID 54289546) is 1-bromo-3-(3-methylphenyl)-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-3-(3-methylphenyl)-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-3-(3-methylphenyl)-5-(trifluoromethyl)benzene is Cc1cccc(-c2cc(Br)cc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-bromo-3-(3-methylphenyl)-5-(trifluoromethyl)benzene?
The InChIKey is SPXUJCUCOSTHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3/c1-9-3-2-4-10(5-9)11-6-12(14(16,17)18)8-13(15)7-11/h2-8H,1H3.
What are the key properties of 1-bromo-3-(3-methylphenyl)-5-(trifluoromethyl)benzene?
1-bromo-3-(3-methylphenyl)-5-(trifluoromethyl)benzene has a molecular weight of 315.13 g/mol, XLogP of 5.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(3-methylphenyl)-5-(trifluoromethyl)benzene is sourced from PubChem (CID 54289546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).