4-bromo-1-methyl-2-(trifluoromethoxy)benzene;ethane

C10H12BrF3O — CID 143646711

IUPAC4-bromo-1-methyl-2-(trifluoromethoxy)benzene;ethane
SMILESCC.Cc1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C8H6BrF3O.C2H6/c1-5-2-3-6(9)4-7(5)13-8(10,11)12;1-2/h2-4H,1H3;1-2H3
InChIKeyBUXWHNYTQMBPON-UHFFFAOYSA-N
MW285.10 g/mol
LogP4.68
Rot. Bonds1

About 4-bromo-1-methyl-2-(trifluoromethoxy)benzene;ethane

4-bromo-1-methyl-2-(trifluoromethoxy)benzene;ethane (PubChem CID 143646711) has the molecular formula C10H12BrF3O and a molecular weight of 285.10 g/mol. Its IUPAC name is 4-bromo-1-methyl-2-(trifluoromethoxy)benzene;ethane.

Molecular Properties

Compound Name4-bromo-1-methyl-2-(trifluoromethoxy)benzene;ethane
PubChem CID143646711
Molecular FormulaC10H12BrF3O
Molecular Weight285.10 g/mol
Exact Mass284.00
IUPAC Name4-bromo-1-methyl-2-(trifluoromethoxy)benzene;ethane
SMILESCC.Cc1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C8H6BrF3O.C2H6/c1-5-2-3-6(9)4-7(5)13-8(10,11)12;1-2/h2-4H,1H3;1-2H3
InChIKeyBUXWHNYTQMBPON-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 90224248
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4-bromo-1-methyl-2-[2-(trifluoromethoxy)ethoxy]benzene
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CID 170999451
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CID 107284389
(5-bromo-2-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 114970316
4-bromo-N-(3,3-dimethylbutyl)-2-(trifluoromethoxy)aniline
CID 103192792
4-bromo-2-(difluoromethoxy)-1-methylbenzene
CID 45158712
5-bromo-2-(trifluoromethoxy)aniline
CID 2779367
(5-bromo-2-methylphenoxy)boronic acid
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CID 103193628

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-2-(trifluoromethoxy)benzene;ethane?
The IUPAC name of 4-bromo-1-methyl-2-(trifluoromethoxy)benzene;ethane (CID 143646711) is 4-bromo-1-methyl-2-(trifluoromethoxy)benzene;ethane.
What is the SMILES notation for 4-bromo-1-methyl-2-(trifluoromethoxy)benzene;ethane?
The canonical SMILES for 4-bromo-1-methyl-2-(trifluoromethoxy)benzene;ethane is CC.Cc1ccc(Br)cc1OC(F)(F)F.
What is the InChIKey of 4-bromo-1-methyl-2-(trifluoromethoxy)benzene;ethane?
The InChIKey is BUXWHNYTQMBPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3O.C2H6/c1-5-2-3-6(9)4-7(5)13-8(10,11)12;1-2/h2-4H,1H3;1-2H3.
What are the key properties of 4-bromo-1-methyl-2-(trifluoromethoxy)benzene;ethane?
4-bromo-1-methyl-2-(trifluoromethoxy)benzene;ethane has a molecular weight of 285.10 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-2-(trifluoromethoxy)benzene;ethane is sourced from PubChem (CID 143646711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).