1-bromo-5-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene

C11H11BrF4 — CID 169256259

IUPAC1-bromo-5-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene
SMILESCc1cc(C(C)(C)C(F)(F)F)c(F)cc1Br
InChIInChI=1S/C11H11BrF4/c1-6-4-7(9(13)5-8(6)12)10(2,3)11(14,15)16/h4-5H,1-3H3
InChIKeyNAFCWZXIBYMSCH-UHFFFAOYSA-N
MW299.11 g/mol
LogP4.74
Rot. Bonds1

About 1-bromo-5-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene

1-bromo-5-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene (PubChem CID 169256259) has the molecular formula C11H11BrF4 and a molecular weight of 299.11 g/mol. Its IUPAC name is 1-bromo-5-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene.

Molecular Properties

Compound Name1-bromo-5-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene
PubChem CID169256259
Molecular FormulaC11H11BrF4
Molecular Weight299.11 g/mol
Exact Mass298.00
IUPAC Name1-bromo-5-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene
SMILESCc1cc(C(C)(C)C(F)(F)F)c(F)cc1Br
InChIInChI=1S/C11H11BrF4/c1-6-4-7(9(13)5-8(6)12)10(2,3)11(14,15)16/h4-5H,1-3H3
InChIKeyNAFCWZXIBYMSCH-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene?
The IUPAC name of 1-bromo-5-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene (CID 169256259) is 1-bromo-5-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene.
What is the SMILES notation for 1-bromo-5-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene?
The canonical SMILES for 1-bromo-5-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene is Cc1cc(C(C)(C)C(F)(F)F)c(F)cc1Br.
What is the InChIKey of 1-bromo-5-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene?
The InChIKey is NAFCWZXIBYMSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF4/c1-6-4-7(9(13)5-8(6)12)10(2,3)11(14,15)16/h4-5H,1-3H3.
What are the key properties of 1-bromo-5-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene?
1-bromo-5-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene has a molecular weight of 299.11 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene is sourced from PubChem (CID 169256259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).