1-(4-bromo-3-methylphenyl)-2,4-bis(trifluoromethyl)benzene

C15H9BrF6 — CID 164892534

IUPAC1-(4-bromo-3-methylphenyl)-2,4-bis(trifluoromethyl)benzene
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)ccc1Br
InChIInChI=1S/C15H9BrF6/c1-8-6-9(2-5-13(8)16)11-4-3-10(14(17,18)19)7-12(11)15(20,21)22/h2-7H,1H3
InChIKeyQGTBDYIBNAKDIL-UHFFFAOYSA-N
MW383.13 g/mol
LogP6.46
Rot. Bonds1

About 1-(4-bromo-3-methylphenyl)-2,4-bis(trifluoromethyl)benzene

1-(4-bromo-3-methylphenyl)-2,4-bis(trifluoromethyl)benzene (PubChem CID 164892534) has the molecular formula C15H9BrF6 and a molecular weight of 383.13 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-2,4-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-2,4-bis(trifluoromethyl)benzene
PubChem CID164892534
Molecular FormulaC15H9BrF6
Molecular Weight383.13 g/mol
Exact Mass381.98
IUPAC Name1-(4-bromo-3-methylphenyl)-2,4-bis(trifluoromethyl)benzene
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)ccc1Br
InChIInChI=1S/C15H9BrF6/c1-8-6-9(2-5-13(8)16)11-4-3-10(14(17,18)19)7-12(11)15(20,21)22/h2-7H,1H3
InChIKeyQGTBDYIBNAKDIL-UHFFFAOYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.13
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-bromophenyl)-2,4-bis(trifluoromethyl)benzene
CID 173271329
1-[2,4-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)benzene
CID 169072232
1-(3,4-dichlorophenyl)-2,4-bis(trifluoromethyl)benzene
CID 173271206
1-bromo-2-tert-butyl-4-(trifluoromethyl)benzene
CID 145078321
2-bromo-1-methyl-4-(trifluoromethyl)benzene
CID 2779376
1-bromo-4-(2-fluoropropan-2-yl)-2-methylbenzene;ethane
CID 176941673
ethyl 3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]benzoate
CID 119013664
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
3-[2,4-bis(trifluoromethyl)phenyl]furan
CID 141204154
9-[4-[2,4-bis(trifluoromethyl)phenyl]-2-[2-(3,6-dimethylcarbazol-9-yl)-4-methylphenyl]phenyl]-3,6-dimethylcarbazole
CID 163990430
1-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)benzene
CID 154685385
2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 134617711

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-2,4-bis(trifluoromethyl)benzene?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-2,4-bis(trifluoromethyl)benzene (CID 164892534) is 1-(4-bromo-3-methylphenyl)-2,4-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-2,4-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-2,4-bis(trifluoromethyl)benzene is Cc1cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-2,4-bis(trifluoromethyl)benzene?
The InChIKey is QGTBDYIBNAKDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF6/c1-8-6-9(2-5-13(8)16)11-4-3-10(14(17,18)19)7-12(11)15(20,21)22/h2-7H,1H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-2,4-bis(trifluoromethyl)benzene?
1-(4-bromo-3-methylphenyl)-2,4-bis(trifluoromethyl)benzene has a molecular weight of 383.13 g/mol, XLogP of 6.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-2,4-bis(trifluoromethyl)benzene is sourced from PubChem (CID 164892534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).