1-bromo-4-(trifluoromethoxymethyl)benzene

C8H6BrF3O — CID 121235500

IUPAC1-bromo-4-(trifluoromethoxymethyl)benzene
SMILESFC(F)(F)OCc1ccc(Br)cc1
InChIInChI=1S/C8H6BrF3O/c9-7-3-1-6(2-4-7)5-13-8(10,11)12/h1-4H,5H2
InChIKeyHUEKBOOJOLJBOH-UHFFFAOYSA-N
MW255.03 g/mol
LogP3.49
Rot. Bonds2

About 1-bromo-4-(trifluoromethoxymethyl)benzene

1-bromo-4-(trifluoromethoxymethyl)benzene (PubChem CID 121235500) has the molecular formula C8H6BrF3O and a molecular weight of 255.03 g/mol. Its IUPAC name is 1-bromo-4-(trifluoromethoxymethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(trifluoromethoxymethyl)benzene
PubChem CID121235500
Molecular FormulaC8H6BrF3O
Molecular Weight255.03 g/mol
Exact Mass253.96
IUPAC Name1-bromo-4-(trifluoromethoxymethyl)benzene
SMILESFC(F)(F)OCc1ccc(Br)cc1
InChIInChI=1S/C8H6BrF3O/c9-7-3-1-6(2-4-7)5-13-8(10,11)12/h1-4H,5H2
InChIKeyHUEKBOOJOLJBOH-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.03
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-Bromophenyl)oxirane
CID 119460
2-(3-Bromophenyl)oxirane
CID 147193
1-Bromo-4-(dimethoxymethyl)benzene
CID 688342
1-Bromo-4-(1-methoxyethyl)benzene
CID 10965890
1-(4-Bromophenyl)-2,2,2-trifluoroethanol
CID 11219024
(2S)-2-(4-bromophenyl)oxirane
CID 12163514
4-Bromobenzyl methyl ether
CID 12662296
1-Bromo-2-(methoxymethyl)benzene
CID 12927162
1-Bromo-3-(methoxymethyl)benzene
CID 13219582
2-(4-Bromophenyl)oxolane
CID 14653181
1-((Benzyloxy)methyl)-4-bromobenzene
CID 11254408
2-(4-Bromophenyl)-2-methyloxirane
CID 150702

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(trifluoromethoxymethyl)benzene?
The IUPAC name of 1-bromo-4-(trifluoromethoxymethyl)benzene (CID 121235500) is 1-bromo-4-(trifluoromethoxymethyl)benzene.
What is the SMILES notation for 1-bromo-4-(trifluoromethoxymethyl)benzene?
The canonical SMILES for 1-bromo-4-(trifluoromethoxymethyl)benzene is FC(F)(F)OCc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(trifluoromethoxymethyl)benzene?
The InChIKey is HUEKBOOJOLJBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3O/c9-7-3-1-6(2-4-7)5-13-8(10,11)12/h1-4H,5H2.
What are the key properties of 1-bromo-4-(trifluoromethoxymethyl)benzene?
1-bromo-4-(trifluoromethoxymethyl)benzene has a molecular weight of 255.03 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(trifluoromethoxymethyl)benzene is sourced from PubChem (CID 121235500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).