1-(bromomethyl)-2-ethoxy-3-(trifluoromethyl)benzene

C10H10BrF3O — CID 131617255

IUPAC1-(bromomethyl)-2-ethoxy-3-(trifluoromethyl)benzene
SMILESCCOc1c(CBr)cccc1C(F)(F)F
InChIInChI=1S/C10H10BrF3O/c1-2-15-9-7(6-11)4-3-5-8(9)10(12,13)14/h3-5H,2,6H2,1H3
InChIKeyKMJRQVOVBAZUGF-UHFFFAOYSA-N
MW283.09 g/mol
LogP4.00
Rot. Bonds3

About 1-(bromomethyl)-2-ethoxy-3-(trifluoromethyl)benzene

1-(bromomethyl)-2-ethoxy-3-(trifluoromethyl)benzene (PubChem CID 131617255) has the molecular formula C10H10BrF3O and a molecular weight of 283.09 g/mol. Its IUPAC name is 1-(bromomethyl)-2-ethoxy-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-2-ethoxy-3-(trifluoromethyl)benzene
PubChem CID131617255
Molecular FormulaC10H10BrF3O
Molecular Weight283.09 g/mol
Exact Mass281.99
IUPAC Name1-(bromomethyl)-2-ethoxy-3-(trifluoromethyl)benzene
SMILESCCOc1c(CBr)cccc1C(F)(F)F
InChIInChI=1S/C10H10BrF3O/c1-2-15-9-7(6-11)4-3-5-8(9)10(12,13)14/h3-5H,2,6H2,1H3
InChIKeyKMJRQVOVBAZUGF-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 54.00
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

2-ethoxy-1-[2-(2-ethoxy-3-ethylphenyl)propan-2-yl]-3-ethylbenzene
CID 150428684
1-(bromomethyl)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 115956849
1-(bromomethyl)-3-fluoro-2-(2,2,2-trifluoroethoxy)benzene
CID 112614053
2-[2-(bromomethyl)-6-tert-butylphenoxy]acetonitrile
CID 22241375
2-(2-butan-2-yloxyethoxy)-1,3-bis(trifluoromethyl)benzene
CID 130369329
1-[2-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol
CID 117339947
1-(bromomethyl)-3-methyl-2-(4,4,4-trifluorobutoxy)benzene
CID 112614188
1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-ethoxybenzene
CID 43659013
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249
2-[2-(bromomethyl)-6-ethoxyphenoxy]acetonitrile
CID 43366835
1-(bromomethyl)-3-ethyl-2-methoxybenzene
CID 126971204
3-ethoxy-2-fluoro-1-methylsulfanyl-4-(trifluoromethyl)benzene
CID 164891294

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-ethoxy-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(bromomethyl)-2-ethoxy-3-(trifluoromethyl)benzene (CID 131617255) is 1-(bromomethyl)-2-ethoxy-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(bromomethyl)-2-ethoxy-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(bromomethyl)-2-ethoxy-3-(trifluoromethyl)benzene is CCOc1c(CBr)cccc1C(F)(F)F.
What is the InChIKey of 1-(bromomethyl)-2-ethoxy-3-(trifluoromethyl)benzene?
The InChIKey is KMJRQVOVBAZUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3O/c1-2-15-9-7(6-11)4-3-5-8(9)10(12,13)14/h3-5H,2,6H2,1H3.
What are the key properties of 1-(bromomethyl)-2-ethoxy-3-(trifluoromethyl)benzene?
1-(bromomethyl)-2-ethoxy-3-(trifluoromethyl)benzene has a molecular weight of 283.09 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-ethoxy-3-(trifluoromethyl)benzene is sourced from PubChem (CID 131617255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).