2-(2-bromoethoxy)-4-chloro-1-(trifluoromethyl)benzene

C9H7BrClF3O — CID 134573994

IUPAC2-(2-bromoethoxy)-4-chloro-1-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(Cl)cc1OCCBr
InChIInChI=1S/C9H7BrClF3O/c10-3-4-15-8-5-6(11)1-2-7(8)9(12,13)14/h1-2,5H,3-4H2
InChIKeyKKNWVHIHYVJULN-UHFFFAOYSA-N
MW303.51 g/mol
LogP4.13
Rot. Bonds3

About 2-(2-bromoethoxy)-4-chloro-1-(trifluoromethyl)benzene

2-(2-bromoethoxy)-4-chloro-1-(trifluoromethyl)benzene (PubChem CID 134573994) has the molecular formula C9H7BrClF3O and a molecular weight of 303.51 g/mol. Its IUPAC name is 2-(2-bromoethoxy)-4-chloro-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-(2-bromoethoxy)-4-chloro-1-(trifluoromethyl)benzene
PubChem CID134573994
Molecular FormulaC9H7BrClF3O
Molecular Weight303.51 g/mol
Exact Mass301.93
IUPAC Name2-(2-bromoethoxy)-4-chloro-1-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(Cl)cc1OCCBr
InChIInChI=1S/C9H7BrClF3O/c10-3-4-15-8-5-6(11)1-2-7(8)9(12,13)14/h1-2,5H,3-4H2
InChIKeyKKNWVHIHYVJULN-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.51
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(2-bromoethoxy)-4-(trifluoromethyl)pyridine
CID 121418428
4-(2-bromoethoxy)-3-(trifluoromethyl)benzonitrile
CID 115467673
4-(2-bromoethoxy)-2-(trifluoromethyl)aniline
CID 168997372
2-(2-bromoethyl)-4-chloro-1-(2,2,2-trifluoroethoxy)benzene
CID 135154916
4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane
CID 144850606
4-chloro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline
CID 63505392
4-(4-bromobutoxy)-1-fluoro-2-(trifluoromethyl)benzene
CID 102747039
4-chloro-2-methyl-1-(trifluoromethyl)benzene
CID 12712338
[5-chloro-2-(trifluoromethyl)phenyl]methanol
CID 2778112
[5-chloro-2-(trifluoromethyl)phenyl]boronic acid
CID 46736817
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-fluoro-2-(trifluoromethyl)benzene
CID 89437014
1-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-2-(bromomethyl)-4-chlorobenzene
CID 89437755

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethoxy)-4-chloro-1-(trifluoromethyl)benzene?
The IUPAC name of 2-(2-bromoethoxy)-4-chloro-1-(trifluoromethyl)benzene (CID 134573994) is 2-(2-bromoethoxy)-4-chloro-1-(trifluoromethyl)benzene.
What is the SMILES notation for 2-(2-bromoethoxy)-4-chloro-1-(trifluoromethyl)benzene?
The canonical SMILES for 2-(2-bromoethoxy)-4-chloro-1-(trifluoromethyl)benzene is FC(F)(F)c1ccc(Cl)cc1OCCBr.
What is the InChIKey of 2-(2-bromoethoxy)-4-chloro-1-(trifluoromethyl)benzene?
The InChIKey is KKNWVHIHYVJULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClF3O/c10-3-4-15-8-5-6(11)1-2-7(8)9(12,13)14/h1-2,5H,3-4H2.
What are the key properties of 2-(2-bromoethoxy)-4-chloro-1-(trifluoromethyl)benzene?
2-(2-bromoethoxy)-4-chloro-1-(trifluoromethyl)benzene has a molecular weight of 303.51 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethoxy)-4-chloro-1-(trifluoromethyl)benzene is sourced from PubChem (CID 134573994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).