1-(1-bromopropyl)-4-(trifluoromethoxy)benzene

C10H10BrF3O — CID 53466431

IUPAC1-(1-bromopropyl)-4-(trifluoromethoxy)benzene
SMILESCCC(Br)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H10BrF3O/c1-2-9(11)7-3-5-8(6-4-7)15-10(12,13)14/h3-6,9H,2H2,1H3
InChIKeyLXJJLPVNSFNNEQ-UHFFFAOYSA-N
MW283.09 g/mol
LogP4.43
Rot. Bonds3

About 1-(1-bromopropyl)-4-(trifluoromethoxy)benzene

1-(1-bromopropyl)-4-(trifluoromethoxy)benzene (PubChem CID 53466431) has the molecular formula C10H10BrF3O and a molecular weight of 283.09 g/mol. Its IUPAC name is 1-(1-bromopropyl)-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-(1-bromopropyl)-4-(trifluoromethoxy)benzene
PubChem CID53466431
Molecular FormulaC10H10BrF3O
Molecular Weight283.09 g/mol
Exact Mass281.99
IUPAC Name1-(1-bromopropyl)-4-(trifluoromethoxy)benzene
SMILESCCC(Br)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H10BrF3O/c1-2-9(11)7-3-5-8(6-4-7)15-10(12,13)14/h3-6,9H,2H2,1H3
InChIKeyLXJJLPVNSFNNEQ-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(1-bromopropyl)-4-(trifluoromethoxy)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

[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]azanide
CID 162105991
1-(3-bromobutan-2-yl)-4-(trifluoromethoxy)benzene
CID 66470056
(1R)-N-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 141191403
N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 114980102
4-[bromo-[4-(trifluoromethoxy)phenyl]methyl]-1,2-dimethylbenzene
CID 116629143
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]butan-2-amine
CID 43190319
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
(1R)-1-[4-(trifluoromethoxy)phenyl]ethanethiol
CID 28974994
(R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239826
1-[1-bromo-2-(3-chlorophenyl)ethyl]-4-(trifluoromethoxy)benzene
CID 116629289
1-(1-nitrobutan-2-yl)-4-(trifluoromethoxy)benzene
CID 12064951
(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 86346348

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromopropyl)-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-(1-bromopropyl)-4-(trifluoromethoxy)benzene (CID 53466431) is 1-(1-bromopropyl)-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-(1-bromopropyl)-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-(1-bromopropyl)-4-(trifluoromethoxy)benzene is CCC(Br)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-(1-bromopropyl)-4-(trifluoromethoxy)benzene?
The InChIKey is LXJJLPVNSFNNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3O/c1-2-9(11)7-3-5-8(6-4-7)15-10(12,13)14/h3-6,9H,2H2,1H3.
What are the key properties of 1-(1-bromopropyl)-4-(trifluoromethoxy)benzene?
1-(1-bromopropyl)-4-(trifluoromethoxy)benzene has a molecular weight of 283.09 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromopropyl)-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 53466431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).