1-bromo-3-(3,3,3-trifluoro-1-methoxypropyl)benzene

C10H10BrF3O — CID 156763356

IUPAC1-bromo-3-(3,3,3-trifluoro-1-methoxypropyl)benzene
SMILESCOC(CC(F)(F)F)c1cccc(Br)c1
InChIInChI=1S/C10H10BrF3O/c1-15-9(6-10(12,13)14)7-3-2-4-8(11)5-7/h2-5,9H,6H2,1H3
InChIKeyLRTMVHPYGWUZKM-UHFFFAOYSA-N
MW283.09 g/mol
LogP4.09
Rot. Bonds3

About 1-bromo-3-(3,3,3-trifluoro-1-methoxypropyl)benzene

1-bromo-3-(3,3,3-trifluoro-1-methoxypropyl)benzene (PubChem CID 156763356) has the molecular formula C10H10BrF3O and a molecular weight of 283.09 g/mol. Its IUPAC name is 1-bromo-3-(3,3,3-trifluoro-1-methoxypropyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(3,3,3-trifluoro-1-methoxypropyl)benzene
PubChem CID156763356
Molecular FormulaC10H10BrF3O
Molecular Weight283.09 g/mol
Exact Mass281.99
IUPAC Name1-bromo-3-(3,3,3-trifluoro-1-methoxypropyl)benzene
SMILESCOC(CC(F)(F)F)c1cccc(Br)c1
InChIInChI=1S/C10H10BrF3O/c1-15-9(6-10(12,13)14)7-3-2-4-8(11)5-7/h2-5,9H,6H2,1H3
InChIKeyLRTMVHPYGWUZKM-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-bromo-3-(3,3,3-trifluoro-1-methoxypropyl)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-(3-Bromophenyl)ethanol
CID 98479
1-(3-Bromophenyl)-2,2,2-trifluoroethan-1-ol
CID 23423062
1-Bromo-3-(dimethoxymethyl)benzene
CID 105395
2-(3-Bromophenyl)oxirane
CID 147193
(1S)-1-(3-bromophenyl)ethan-1-ol
CID 6951261
(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
2-(4-Bromophenyl)-2-methyloxirane
CID 150702

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(3,3,3-trifluoro-1-methoxypropyl)benzene?
The IUPAC name of 1-bromo-3-(3,3,3-trifluoro-1-methoxypropyl)benzene (CID 156763356) is 1-bromo-3-(3,3,3-trifluoro-1-methoxypropyl)benzene.
What is the SMILES notation for 1-bromo-3-(3,3,3-trifluoro-1-methoxypropyl)benzene?
The canonical SMILES for 1-bromo-3-(3,3,3-trifluoro-1-methoxypropyl)benzene is COC(CC(F)(F)F)c1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-(3,3,3-trifluoro-1-methoxypropyl)benzene?
The InChIKey is LRTMVHPYGWUZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3O/c1-15-9(6-10(12,13)14)7-3-2-4-8(11)5-7/h2-5,9H,6H2,1H3.
What are the key properties of 1-bromo-3-(3,3,3-trifluoro-1-methoxypropyl)benzene?
1-bromo-3-(3,3,3-trifluoro-1-methoxypropyl)benzene has a molecular weight of 283.09 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(3,3,3-trifluoro-1-methoxypropyl)benzene is sourced from PubChem (CID 156763356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).