2-bromo-1-(methoxymethyl)-4-(trifluoromethyl)benzene

C9H8BrF3O — CID 91883137

IUPAC2-bromo-1-(methoxymethyl)-4-(trifluoromethyl)benzene
SMILESCOCc1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C9H8BrF3O/c1-14-5-6-2-3-7(4-8(6)10)9(11,12)13/h2-4H,5H2,1H3
InChIKeyWGMMDDGTVKJHJX-UHFFFAOYSA-N
MW269.06 g/mol
LogP3.61
Rot. Bonds2

About 2-bromo-1-(methoxymethyl)-4-(trifluoromethyl)benzene

2-bromo-1-(methoxymethyl)-4-(trifluoromethyl)benzene (PubChem CID 91883137) has the molecular formula C9H8BrF3O and a molecular weight of 269.06 g/mol. Its IUPAC name is 2-bromo-1-(methoxymethyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-bromo-1-(methoxymethyl)-4-(trifluoromethyl)benzene
PubChem CID91883137
Molecular FormulaC9H8BrF3O
Molecular Weight269.06 g/mol
Exact Mass267.97
IUPAC Name2-bromo-1-(methoxymethyl)-4-(trifluoromethyl)benzene
SMILESCOCc1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C9H8BrF3O/c1-14-5-6-2-3-7(4-8(6)10)9(11,12)13/h2-4H,5H2,1H3
InChIKeyWGMMDDGTVKJHJX-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.06
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-1-(bromomethyl)-4-(trifluoromethyl)benzene;2-bromo-1-methyl-4-(trifluoromethyl)benzene
CID 159745589
2-[2-(methoxymethyl)-5-(trifluoromethyl)phenyl]acetic acid
CID 91883910
1-[2-bromo-4-(trifluoromethyl)phenyl]-2-methylpropan-2-amine
CID 117112045
1-O-[[2-bromo-4-(trifluoromethyl)phenyl]methyl] 3-O-ethyl 2-ethylpropanedioate
CID 174523843
2-bromo-4-[[3-bromo-4-(methoxymethyl)phenyl]disulfanyl]-1-(methoxymethyl)benzene
CID 57296423
2-bromo-1-(2-bromo-4-methylpentyl)-4-(trifluoromethyl)benzene
CID 115512253
1-bromo-3-[2-bromo-4-(trifluoromethyl)phenyl]propan-2-one
CID 134616187
2-bromo-1-methyl-4-(trifluoromethyl)benzene
CID 2779376
2-bromo-1-(isocyanatomethyl)-4-(trifluoromethyl)benzene
CID 117114796
2-bromo-1-(dimethoxymethyl)-4-(trifluoromethyl)benzene
CID 169138139
3-[2-bromo-4-(trifluoromethyl)phenyl]-N,N-dimethylpropanamide
CID 172652100
2-[3-bromo-4-(methoxymethyl)phenyl]ethanol
CID 117364056

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(methoxymethyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 2-bromo-1-(methoxymethyl)-4-(trifluoromethyl)benzene (CID 91883137) is 2-bromo-1-(methoxymethyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-bromo-1-(methoxymethyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-bromo-1-(methoxymethyl)-4-(trifluoromethyl)benzene is COCc1ccc(C(F)(F)F)cc1Br.
What is the InChIKey of 2-bromo-1-(methoxymethyl)-4-(trifluoromethyl)benzene?
The InChIKey is WGMMDDGTVKJHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3O/c1-14-5-6-2-3-7(4-8(6)10)9(11,12)13/h2-4H,5H2,1H3.
What are the key properties of 2-bromo-1-(methoxymethyl)-4-(trifluoromethyl)benzene?
2-bromo-1-(methoxymethyl)-4-(trifluoromethyl)benzene has a molecular weight of 269.06 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(methoxymethyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 91883137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).