1,3-dibromo-2-methyl-5-(2,2,2-trifluoroethoxymethyl)benzene

C10H9Br2F3O — CID 69244188

IUPAC1,3-dibromo-2-methyl-5-(2,2,2-trifluoroethoxymethyl)benzene
SMILESCc1c(Br)cc(COCC(F)(F)F)cc1Br
InChIInChI=1S/C10H9Br2F3O/c1-6-8(11)2-7(3-9(6)12)4-16-5-10(13,14)15/h2-3H,4-5H2,1H3
InChIKeyGZGFYPJGDDZUKW-UHFFFAOYSA-N
MW361.98 g/mol
LogP4.60
Rot. Bonds3

About 1,3-dibromo-2-methyl-5-(2,2,2-trifluoroethoxymethyl)benzene

1,3-dibromo-2-methyl-5-(2,2,2-trifluoroethoxymethyl)benzene (PubChem CID 69244188) has the molecular formula C10H9Br2F3O and a molecular weight of 361.98 g/mol. Its IUPAC name is 1,3-dibromo-2-methyl-5-(2,2,2-trifluoroethoxymethyl)benzene.

Molecular Properties

Compound Name1,3-dibromo-2-methyl-5-(2,2,2-trifluoroethoxymethyl)benzene
PubChem CID69244188
Molecular FormulaC10H9Br2F3O
Molecular Weight361.98 g/mol
Exact Mass359.90
IUPAC Name1,3-dibromo-2-methyl-5-(2,2,2-trifluoroethoxymethyl)benzene
SMILESCc1c(Br)cc(COCC(F)(F)F)cc1Br
InChIInChI=1S/C10H9Br2F3O/c1-6-8(11)2-7(3-9(6)12)4-16-5-10(13,14)15/h2-3H,4-5H2,1H3
InChIKeyGZGFYPJGDDZUKW-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.98
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-5-(bromomethyl)-2-methyl-3-(trifluoromethyl)benzene
CID 146676150
1,3-dibromo-2-methyl-5-(trifluoromethyl)benzene;ethane
CID 144858961
1-bromo-4-fluoro-2-(2,2,2-trifluoroethoxymethyl)benzene
CID 91759019
1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene
CID 70661162
1,3-dibromo-5-(bromomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 107745646
N-methyl-1-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
CID 62443882
1-[3,5-dibromo-4-(2,2,2-trifluoroethoxymethoxy)phenyl]-N-methylmethanamine
CID 107741653
N-methyl-1-[3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
CID 62444453
5-(bromomethyl)-1,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 61490739
2-[(4-methylphenyl)methyl]-1-[2-[(4-methylphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)phenoxy]-4-(2,2,2-trifluoroethoxymethyl)benzene
CID 139813203
1-bromo-5-(bromomethyl)-3-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 61490499
1-(4-bromo-2,5-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103206700

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2-methyl-5-(2,2,2-trifluoroethoxymethyl)benzene?
The IUPAC name of 1,3-dibromo-2-methyl-5-(2,2,2-trifluoroethoxymethyl)benzene (CID 69244188) is 1,3-dibromo-2-methyl-5-(2,2,2-trifluoroethoxymethyl)benzene.
What is the SMILES notation for 1,3-dibromo-2-methyl-5-(2,2,2-trifluoroethoxymethyl)benzene?
The canonical SMILES for 1,3-dibromo-2-methyl-5-(2,2,2-trifluoroethoxymethyl)benzene is Cc1c(Br)cc(COCC(F)(F)F)cc1Br.
What is the InChIKey of 1,3-dibromo-2-methyl-5-(2,2,2-trifluoroethoxymethyl)benzene?
The InChIKey is GZGFYPJGDDZUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2F3O/c1-6-8(11)2-7(3-9(6)12)4-16-5-10(13,14)15/h2-3H,4-5H2,1H3.
What are the key properties of 1,3-dibromo-2-methyl-5-(2,2,2-trifluoroethoxymethyl)benzene?
1,3-dibromo-2-methyl-5-(2,2,2-trifluoroethoxymethyl)benzene has a molecular weight of 361.98 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2-methyl-5-(2,2,2-trifluoroethoxymethyl)benzene is sourced from PubChem (CID 69244188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).