4-(bromomethyl)-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)benzene

C10H7BrF6O — CID 55204720

IUPAC4-(bromomethyl)-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)benzene
SMILESFC(F)(F)COc1ccc(CBr)cc1C(F)(F)F
InChIInChI=1S/C10H7BrF6O/c11-4-6-1-2-8(18-5-9(12,13)14)7(3-6)10(15,16)17/h1-3H,4-5H2
InChIKeyBLGPKNYSPWSBAB-UHFFFAOYSA-N
MW337.06 g/mol
LogP4.54
Rot. Bonds3

About 4-(bromomethyl)-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)benzene

4-(bromomethyl)-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)benzene (PubChem CID 55204720) has the molecular formula C10H7BrF6O and a molecular weight of 337.06 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-(bromomethyl)-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)benzene
PubChem CID55204720
Molecular FormulaC10H7BrF6O
Molecular Weight337.06 g/mol
Exact Mass335.96
IUPAC Name4-(bromomethyl)-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)benzene
SMILESFC(F)(F)COc1ccc(CBr)cc1C(F)(F)F
InChIInChI=1S/C10H7BrF6O/c11-4-6-1-2-8(18-5-9(12,13)14)7(3-6)10(15,16)17/h1-3H,4-5H2
InChIKeyBLGPKNYSPWSBAB-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.06
LogP ≤ 54.54
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

4-(bromomethyl)-2-methoxy-1-(2,2,2-trifluoroethoxy)benzene
CID 43141747
4-(bromomethyl)-1-(3-methoxypropoxy)-2-(trifluoromethyl)benzene
CID 63320546
4-(bromomethyl)-1-[(2-fluorophenyl)methoxy]-2-(trifluoromethyl)benzene
CID 63534904
4-(bromomethyl)-1-[(2-methylphenyl)methoxy]-2-(trifluoromethyl)benzene
CID 63535396
3-[4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenyl]propanoic acid
CID 175665772
1-[4-(bromomethyl)-2-(trifluoromethyl)phenoxy]-3,5-dimethylbenzene
CID 107087012
4-(bromomethyl)-1-(2-fluorophenoxy)-2-(trifluoromethyl)benzene
CID 107086881
4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenol
CID 166611037
3-[[4-(bromomethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine
CID 63320237
1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-(trifluoromethyl)benzene
CID 107089323
4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane
CID 155731469
4-(bromomethyl)-1-iodo-2-(trifluoromethyl)benzene
CID 98041510

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)benzene?
The IUPAC name of 4-(bromomethyl)-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)benzene (CID 55204720) is 4-(bromomethyl)-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-(bromomethyl)-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-(bromomethyl)-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)benzene is FC(F)(F)COc1ccc(CBr)cc1C(F)(F)F.
What is the InChIKey of 4-(bromomethyl)-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)benzene?
The InChIKey is BLGPKNYSPWSBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF6O/c11-4-6-1-2-8(18-5-9(12,13)14)7(3-6)10(15,16)17/h1-3H,4-5H2.
What are the key properties of 4-(bromomethyl)-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)benzene?
4-(bromomethyl)-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)benzene has a molecular weight of 337.06 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 55204720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).