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

C10H10BrF3O2 — CID 43141747

IUPAC4-(bromomethyl)-2-methoxy-1-(2,2,2-trifluoroethoxy)benzene
SMILESCOc1cc(CBr)ccc1OCC(F)(F)F
InChIInChI=1S/C10H10BrF3O2/c1-15-9-4-7(5-11)2-3-8(9)16-6-10(12,13)14/h2-4H,5-6H2,1H3
InChIKeySKJSYPSXSOMSDZ-UHFFFAOYSA-N
MW299.09 g/mol
LogP3.53
Rot. Bonds4

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

4-(bromomethyl)-2-methoxy-1-(2,2,2-trifluoroethoxy)benzene (PubChem CID 43141747) has the molecular formula C10H10BrF3O2 and a molecular weight of 299.09 g/mol. Its IUPAC name is 4-(bromomethyl)-2-methoxy-1-(2,2,2-trifluoroethoxy)benzene.

Molecular Properties

Compound Name4-(bromomethyl)-2-methoxy-1-(2,2,2-trifluoroethoxy)benzene
PubChem CID43141747
Molecular FormulaC10H10BrF3O2
Molecular Weight299.09 g/mol
Exact Mass297.98
IUPAC Name4-(bromomethyl)-2-methoxy-1-(2,2,2-trifluoroethoxy)benzene
SMILESCOc1cc(CBr)ccc1OCC(F)(F)F
InChIInChI=1S/C10H10BrF3O2/c1-15-9-4-7(5-11)2-3-8(9)16-6-10(12,13)14/h2-4H,5-6H2,1H3
InChIKeySKJSYPSXSOMSDZ-UHFFFAOYSA-N
XLogP3.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 16776854
4-(bromomethyl)-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)benzene
CID 55204720
4-(bromomethyl)-1-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 61490859
4-(bromomethyl)-1-(2-fluoroethoxy)-2-methoxybenzene
CID 80694773
4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene
CID 43141726
4-(bromomethyl)-1-butoxy-2-methoxybenzene
CID 43141728
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine
CID 43278729
4-(bromomethyl)-1-[(4-bromophenyl)methoxy]-2-methoxybenzene
CID 43141748
4-(bromomethyl)-2-methoxy-1-(3-methoxy-3-methylbutoxy)benzene
CID 103034286
5-bromo-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridin-3-amine
CID 133318043
N-methoxy-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 47091604
3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 47091557

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-methoxy-1-(2,2,2-trifluoroethoxy)benzene?
The IUPAC name of 4-(bromomethyl)-2-methoxy-1-(2,2,2-trifluoroethoxy)benzene (CID 43141747) is 4-(bromomethyl)-2-methoxy-1-(2,2,2-trifluoroethoxy)benzene.
What is the SMILES notation for 4-(bromomethyl)-2-methoxy-1-(2,2,2-trifluoroethoxy)benzene?
The canonical SMILES for 4-(bromomethyl)-2-methoxy-1-(2,2,2-trifluoroethoxy)benzene is COc1cc(CBr)ccc1OCC(F)(F)F.
What is the InChIKey of 4-(bromomethyl)-2-methoxy-1-(2,2,2-trifluoroethoxy)benzene?
The InChIKey is SKJSYPSXSOMSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3O2/c1-15-9-4-7(5-11)2-3-8(9)16-6-10(12,13)14/h2-4H,5-6H2,1H3.
What are the key properties of 4-(bromomethyl)-2-methoxy-1-(2,2,2-trifluoroethoxy)benzene?
4-(bromomethyl)-2-methoxy-1-(2,2,2-trifluoroethoxy)benzene has a molecular weight of 299.09 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-methoxy-1-(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 43141747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).