2-bromo-1,3-dimethyl-5-(3,3,3-trifluoropropoxy)benzene

C11H12BrF3O — CID 107723472

IUPAC2-bromo-1,3-dimethyl-5-(3,3,3-trifluoropropoxy)benzene
SMILESCc1cc(OCCC(F)(F)F)cc(C)c1Br
InChIInChI=1S/C11H12BrF3O/c1-7-5-9(6-8(2)10(7)12)16-4-3-11(13,14)15/h5-6H,3-4H2,1-2H3
InChIKeyONJXFZZJDHVMJU-UHFFFAOYSA-N
MW297.11 g/mol
LogP4.40
Rot. Bonds3

About 2-bromo-1,3-dimethyl-5-(3,3,3-trifluoropropoxy)benzene

2-bromo-1,3-dimethyl-5-(3,3,3-trifluoropropoxy)benzene (PubChem CID 107723472) has the molecular formula C11H12BrF3O and a molecular weight of 297.11 g/mol. Its IUPAC name is 2-bromo-1,3-dimethyl-5-(3,3,3-trifluoropropoxy)benzene.

Molecular Properties

Compound Name2-bromo-1,3-dimethyl-5-(3,3,3-trifluoropropoxy)benzene
PubChem CID107723472
Molecular FormulaC11H12BrF3O
Molecular Weight297.11 g/mol
Exact Mass296.00
IUPAC Name2-bromo-1,3-dimethyl-5-(3,3,3-trifluoropropoxy)benzene
SMILESCc1cc(OCCC(F)(F)F)cc(C)c1Br
InChIInChI=1S/C11H12BrF3O/c1-7-5-9(6-8(2)10(7)12)16-4-3-11(13,14)15/h5-6H,3-4H2,1-2H3
InChIKeyONJXFZZJDHVMJU-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-bromo-3,5-dimethylphenoxy)propanamide
CID 107723524
3-(4-bromo-3,5-dimethylphenoxy)propanoic acid;ethane
CID 144562870
1-bromo-4-(3,3,3-trifluoropropoxy)benzene
CID 22913802
2-bromo-1,3-dimethyl-5-(4-methylpentoxy)benzene
CID 107723972
6-(4-bromo-3,5-dimethylphenoxy)hexan-1-ol
CID 107723451
hydrazinyl 3-(4-bromo-3,5-dimethylphenoxy)propanoate
CID 107726871
3-(4-bromo-3,5-dimethylphenoxy)propane-1-sulfonyl chloride
CID 107727027
(2S)-4-(4-bromo-3,5-dimethylphenoxy)butan-2-ol
CID 129387597
1-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-4-(trifluoromethyl)piperidine
CID 170855062
2-methyl-4-(3,3,3-trifluoropropoxy)benzenesulfonyl chloride
CID 64554785
1-(4-bromo-3,5-dimethylphenoxy)-2-methylpropan-2-amine
CID 164607090
3-(4-bromo-3,5-dimethylphenoxy)-N-ethylpropan-1-amine
CID 92922065

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-dimethyl-5-(3,3,3-trifluoropropoxy)benzene?
The IUPAC name of 2-bromo-1,3-dimethyl-5-(3,3,3-trifluoropropoxy)benzene (CID 107723472) is 2-bromo-1,3-dimethyl-5-(3,3,3-trifluoropropoxy)benzene.
What is the SMILES notation for 2-bromo-1,3-dimethyl-5-(3,3,3-trifluoropropoxy)benzene?
The canonical SMILES for 2-bromo-1,3-dimethyl-5-(3,3,3-trifluoropropoxy)benzene is Cc1cc(OCCC(F)(F)F)cc(C)c1Br.
What is the InChIKey of 2-bromo-1,3-dimethyl-5-(3,3,3-trifluoropropoxy)benzene?
The InChIKey is ONJXFZZJDHVMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3O/c1-7-5-9(6-8(2)10(7)12)16-4-3-11(13,14)15/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-bromo-1,3-dimethyl-5-(3,3,3-trifluoropropoxy)benzene?
2-bromo-1,3-dimethyl-5-(3,3,3-trifluoropropoxy)benzene has a molecular weight of 297.11 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-dimethyl-5-(3,3,3-trifluoropropoxy)benzene is sourced from PubChem (CID 107723472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).