1-bromo-4-methylbenzene;trihydrofluoride

C7H10BrF3 — CID 172815118

IUPAC1-bromo-4-methylbenzene;trihydrofluoride
SMILESCc1ccc(Br)cc1.F.F.F
InChIInChI=1S/C7H7Br.3FH/c1-6-2-4-7(8)5-3-6;;;/h2-5H,1H3;3*1H
InChIKeySSBJOOLBHDYCJX-UHFFFAOYSA-N
MW231.06 g/mol
LogP3.22
Rot. Bonds

About 1-bromo-4-methylbenzene;trihydrofluoride

1-bromo-4-methylbenzene;trihydrofluoride (PubChem CID 172815118) has the molecular formula C7H10BrF3 and a molecular weight of 231.06 g/mol. Its IUPAC name is 1-bromo-4-methylbenzene;trihydrofluoride.

Molecular Properties

Compound Name1-bromo-4-methylbenzene;trihydrofluoride
PubChem CID172815118
Molecular FormulaC7H10BrF3
Molecular Weight231.06 g/mol
Exact Mass229.99
IUPAC Name1-bromo-4-methylbenzene;trihydrofluoride
SMILESCc1ccc(Br)cc1.F.F.F
InChIInChI=1S/C7H7Br.3FH/c1-6-2-4-7(8)5-3-6;;;/h2-5H,1H3;3*1H
InChIKeySSBJOOLBHDYCJX-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.06
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-bromo-4-methylbenzene;methylsulfinylmethane
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CID 162214649
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2-(4-bromophenyl)-5-(4-methylphenyl)thiophene
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1-(4-bromophenyl)sulfonyl-4-methylbenzene
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1-bromo-4-methylbenzene;2,3-dihydrofuran
CID 159356760
1-bromo-3-methylbenzene;1-bromo-4-methylbenzene;ethane
CID 144877768
1-bromo-4-[2-(4-methylphenyl)cyclopenten-1-yl]benzene
CID 145072722
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methylbenzene;trihydrofluoride?
The IUPAC name of 1-bromo-4-methylbenzene;trihydrofluoride (CID 172815118) is 1-bromo-4-methylbenzene;trihydrofluoride.
What is the SMILES notation for 1-bromo-4-methylbenzene;trihydrofluoride?
The canonical SMILES for 1-bromo-4-methylbenzene;trihydrofluoride is Cc1ccc(Br)cc1.F.F.F.
What is the InChIKey of 1-bromo-4-methylbenzene;trihydrofluoride?
The InChIKey is SSBJOOLBHDYCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br.3FH/c1-6-2-4-7(8)5-3-6;;;/h2-5H,1H3;3*1H.
What are the key properties of 1-bromo-4-methylbenzene;trihydrofluoride?
1-bromo-4-methylbenzene;trihydrofluoride has a molecular weight of 231.06 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-methylbenzene;trihydrofluoride is sourced from PubChem (CID 172815118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).