5-bromo-1,3-difluoro-2-(2-methylpropoxymethyl)benzene

C11H13BrF2O — CID 91733706

IUPAC5-bromo-1,3-difluoro-2-(2-methylpropoxymethyl)benzene
SMILESCC(C)COCc1c(F)cc(Br)cc1F
InChIInChI=1S/C11H13BrF2O/c1-7(2)5-15-6-9-10(13)3-8(12)4-11(9)14/h3-4,7H,5-6H2,1-2H3
InChIKeyJBTTZCFMGGHNGT-UHFFFAOYSA-N
MW279.12 g/mol
LogP3.90
Rot. Bonds4

About 5-bromo-1,3-difluoro-2-(2-methylpropoxymethyl)benzene

5-bromo-1,3-difluoro-2-(2-methylpropoxymethyl)benzene (PubChem CID 91733706) has the molecular formula C11H13BrF2O and a molecular weight of 279.12 g/mol. Its IUPAC name is 5-bromo-1,3-difluoro-2-(2-methylpropoxymethyl)benzene.

Molecular Properties

Compound Name5-bromo-1,3-difluoro-2-(2-methylpropoxymethyl)benzene
PubChem CID91733706
Molecular FormulaC11H13BrF2O
Molecular Weight279.12 g/mol
Exact Mass278.01
IUPAC Name5-bromo-1,3-difluoro-2-(2-methylpropoxymethyl)benzene
SMILESCC(C)COCc1c(F)cc(Br)cc1F
InChIInChI=1S/C11H13BrF2O/c1-7(2)5-15-6-9-10(13)3-8(12)4-11(9)14/h3-4,7H,5-6H2,1-2H3
InChIKeyJBTTZCFMGGHNGT-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.12
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-bromo-1,3-difluoro-2-(2-methylpropoxymethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Bromophenyl)oxirane
CID 119460
1-Bromo-4-(dimethoxymethyl)benzene
CID 688342
1-Bromo-4-(1-methoxyethyl)benzene
CID 10965890
(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
2-Bromo-5-fluorobenzyl alcohol, tert.-butyl ether
CID 91730098
1-Bromo-4-(diethoxymethyl)benzene
CID 688340

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-difluoro-2-(2-methylpropoxymethyl)benzene?
The IUPAC name of 5-bromo-1,3-difluoro-2-(2-methylpropoxymethyl)benzene (CID 91733706) is 5-bromo-1,3-difluoro-2-(2-methylpropoxymethyl)benzene.
What is the SMILES notation for 5-bromo-1,3-difluoro-2-(2-methylpropoxymethyl)benzene?
The canonical SMILES for 5-bromo-1,3-difluoro-2-(2-methylpropoxymethyl)benzene is CC(C)COCc1c(F)cc(Br)cc1F.
What is the InChIKey of 5-bromo-1,3-difluoro-2-(2-methylpropoxymethyl)benzene?
The InChIKey is JBTTZCFMGGHNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2O/c1-7(2)5-15-6-9-10(13)3-8(12)4-11(9)14/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 5-bromo-1,3-difluoro-2-(2-methylpropoxymethyl)benzene?
5-bromo-1,3-difluoro-2-(2-methylpropoxymethyl)benzene has a molecular weight of 279.12 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-difluoro-2-(2-methylpropoxymethyl)benzene is sourced from PubChem (CID 91733706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).