1-(bromomethyl)-2-(3,3,3-trifluoropropoxy)benzene

C10H10BrF3O — CID 64567747

IUPAC1-(bromomethyl)-2-(3,3,3-trifluoropropoxy)benzene
SMILESFC(F)(F)CCOc1ccccc1CBr
InChIInChI=1S/C10H10BrF3O/c11-7-8-3-1-2-4-9(8)15-6-5-10(12,13)14/h1-4H,5-7H2
InChIKeyURSRQSMBQWUHCC-UHFFFAOYSA-N
MW283.09 g/mol
LogP3.91
Rot. Bonds4

About 1-(bromomethyl)-2-(3,3,3-trifluoropropoxy)benzene

1-(bromomethyl)-2-(3,3,3-trifluoropropoxy)benzene (PubChem CID 64567747) has the molecular formula C10H10BrF3O and a molecular weight of 283.09 g/mol. Its IUPAC name is 1-(bromomethyl)-2-(3,3,3-trifluoropropoxy)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-2-(3,3,3-trifluoropropoxy)benzene
PubChem CID64567747
Molecular FormulaC10H10BrF3O
Molecular Weight283.09 g/mol
Exact Mass281.99
IUPAC Name1-(bromomethyl)-2-(3,3,3-trifluoropropoxy)benzene
SMILESFC(F)(F)CCOc1ccccc1CBr
InChIInChI=1S/C10H10BrF3O/c11-7-8-3-1-2-4-9(8)15-6-5-10(12,13)14/h1-4H,5-7H2
InChIKeyURSRQSMBQWUHCC-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(bromomethyl)-2-propoxybenzene
CID 43141572
1-(bromomethyl)-2-(3-methylbutoxy)benzene
CID 43141565
1-(bromomethyl)-2-dodecoxybenzene
CID 63534495
1-(bromomethyl)-2-(10,10-difluorodecoxy)benzene
CID 152671915
2-methyl-N-[[2-(4,4,4-trifluorobutoxy)phenyl]methyl]propan-2-amine
CID 115513209
N-[[2-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methyl]ethanamine
CID 82959122
2-[2-[2-[2-[2,6-bis(bromomethyl)phenoxy]ethoxy]phenoxy]ethoxy]-1,3-bis(bromomethyl)benzene
CID 71329132
4-(bromomethyl)-2-fluoro-1-(3,3,3-trifluoropropoxy)benzene
CID 107691579
1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane
CID 91089449
1-(bromomethyl)-3-methyl-2-(4,4,4-trifluorobutoxy)benzene
CID 112614188
1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
CID 64566147
1-(bromomethyl)-2-(4-phenoxybutoxy)benzene;triphenylphosphane
CID 88620751

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-(3,3,3-trifluoropropoxy)benzene?
The IUPAC name of 1-(bromomethyl)-2-(3,3,3-trifluoropropoxy)benzene (CID 64567747) is 1-(bromomethyl)-2-(3,3,3-trifluoropropoxy)benzene.
What is the SMILES notation for 1-(bromomethyl)-2-(3,3,3-trifluoropropoxy)benzene?
The canonical SMILES for 1-(bromomethyl)-2-(3,3,3-trifluoropropoxy)benzene is FC(F)(F)CCOc1ccccc1CBr.
What is the InChIKey of 1-(bromomethyl)-2-(3,3,3-trifluoropropoxy)benzene?
The InChIKey is URSRQSMBQWUHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3O/c11-7-8-3-1-2-4-9(8)15-6-5-10(12,13)14/h1-4H,5-7H2.
What are the key properties of 1-(bromomethyl)-2-(3,3,3-trifluoropropoxy)benzene?
1-(bromomethyl)-2-(3,3,3-trifluoropropoxy)benzene has a molecular weight of 283.09 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-(3,3,3-trifluoropropoxy)benzene is sourced from PubChem (CID 64567747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).