1-methyl-4-(trifluoromethyl)benzene bromide

C8H7BrF3- — CID 158317252

IUPAC1-methyl-4-(trifluoromethyl)benzene bromide
SMILESCc1ccc(C(F)(F)F)cc1.[Br-]
InChIInChI=1S/C8H7F3.BrH/c1-6-2-4-7(5-3-6)8(9,10)11;/h2-5H,1H3;1H/p-1
InChIKeyGOKGYBOASWFCFB-UHFFFAOYSA-M
MW240.04 g/mol
LogP0.02
Rot. Bonds

About 1-methyl-4-(trifluoromethyl)benzene bromide

1-methyl-4-(trifluoromethyl)benzene bromide (PubChem CID 158317252) has the molecular formula C8H7BrF3- and a molecular weight of 240.04 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethyl)benzene bromide.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethyl)benzene bromide
PubChem CID158317252
Molecular FormulaC8H7BrF3-
Molecular Weight240.04 g/mol
Exact Mass238.97
IUPAC Name1-methyl-4-(trifluoromethyl)benzene bromide
SMILESCc1ccc(C(F)(F)F)cc1.[Br-]
InChIInChI=1S/C8H7F3.BrH/c1-6-2-4-7(5-3-6)8(9,10)11;/h2-5H,1H3;1H/p-1
InChIKeyGOKGYBOASWFCFB-UHFFFAOYSA-M
XLogP0.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.04
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233
1-[dichloro(fluoro)methyl]-4-methylbenzene
CID 70232782
(S)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 822066
1-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylbenzene
CID 25017943
1-methyl-4-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 101368482
1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
CID 14938913
N-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 570902
4-methyl-N-phenyl-N-[4-(trifluoromethyl)phenyl]aniline
CID 162147514
2-methyl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 162565704
2-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]cyclohexa-2,5-diene-1,4-dione
CID 118119510

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(trifluoromethyl)benzene bromide?
The IUPAC name of 1-methyl-4-(trifluoromethyl)benzene bromide (CID 158317252) is 1-methyl-4-(trifluoromethyl)benzene bromide.
What is the SMILES notation for 1-methyl-4-(trifluoromethyl)benzene bromide?
The canonical SMILES for 1-methyl-4-(trifluoromethyl)benzene bromide is Cc1ccc(C(F)(F)F)cc1.[Br-].
What is the InChIKey of 1-methyl-4-(trifluoromethyl)benzene bromide?
The InChIKey is GOKGYBOASWFCFB-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7F3.BrH/c1-6-2-4-7(5-3-6)8(9,10)11;/h2-5H,1H3;1H/p-1.
What are the key properties of 1-methyl-4-(trifluoromethyl)benzene bromide?
1-methyl-4-(trifluoromethyl)benzene bromide has a molecular weight of 240.04 g/mol, XLogP of 0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethyl)benzene bromide is sourced from PubChem (CID 158317252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).