4-(bromomethyl)-1-[(2-fluorophenyl)methoxy]-2-(trifluoromethyl)benzene

C15H11BrF4O — CID 63534904

IUPAC4-(bromomethyl)-1-[(2-fluorophenyl)methoxy]-2-(trifluoromethyl)benzene
SMILESFc1ccccc1COc1ccc(CBr)cc1C(F)(F)F
InChIInChI=1S/C15H11BrF4O/c16-8-10-5-6-14(12(7-10)15(18,19)20)21-9-11-3-1-2-4-13(11)17/h1-7H,8-9H2
InChIKeyIRLDYGQBHNIKLR-UHFFFAOYSA-N
MW363.15 g/mol
LogP5.32
Rot. Bonds4

About 4-(bromomethyl)-1-[(2-fluorophenyl)methoxy]-2-(trifluoromethyl)benzene

4-(bromomethyl)-1-[(2-fluorophenyl)methoxy]-2-(trifluoromethyl)benzene (PubChem CID 63534904) has the molecular formula C15H11BrF4O and a molecular weight of 363.15 g/mol. Its IUPAC name is 4-(bromomethyl)-1-[(2-fluorophenyl)methoxy]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-(bromomethyl)-1-[(2-fluorophenyl)methoxy]-2-(trifluoromethyl)benzene
PubChem CID63534904
Molecular FormulaC15H11BrF4O
Molecular Weight363.15 g/mol
Exact Mass361.99
IUPAC Name4-(bromomethyl)-1-[(2-fluorophenyl)methoxy]-2-(trifluoromethyl)benzene
SMILESFc1ccccc1COc1ccc(CBr)cc1C(F)(F)F
InChIInChI=1S/C15H11BrF4O/c16-8-10-5-6-14(12(7-10)15(18,19)20)21-9-11-3-1-2-4-13(11)17/h1-7H,8-9H2
InChIKeyIRLDYGQBHNIKLR-UHFFFAOYSA-N
XLogP5.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.15
LogP ≤ 55.32
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

4-(bromomethyl)-1-[(2-methylphenyl)methoxy]-2-(trifluoromethyl)benzene
CID 63535396
4-(bromomethyl)-1-(2-fluorophenoxy)-2-(trifluoromethyl)benzene
CID 107086881
4-(bromomethyl)-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)benzene
CID 55204720
3-[[4-(bromomethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine
CID 63320237
2-[(2-fluorophenyl)methoxy]-5-(trifluoromethyl)aniline
CID 63933444
4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane
CID 155731469
4-(bromomethyl)-1-(3-methoxypropoxy)-2-(trifluoromethyl)benzene
CID 63320546
1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-(trifluoromethyl)benzene
CID 107089323
2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene
CID 146003855
4-bromo-N-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126213328
1-[[4-(bromomethyl)-2-nitrophenoxy]methyl]-2,3-difluorobenzene
CID 43659005
3-fluoro-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol
CID 117219491

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-[(2-fluorophenyl)methoxy]-2-(trifluoromethyl)benzene?
The IUPAC name of 4-(bromomethyl)-1-[(2-fluorophenyl)methoxy]-2-(trifluoromethyl)benzene (CID 63534904) is 4-(bromomethyl)-1-[(2-fluorophenyl)methoxy]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-(bromomethyl)-1-[(2-fluorophenyl)methoxy]-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-(bromomethyl)-1-[(2-fluorophenyl)methoxy]-2-(trifluoromethyl)benzene is Fc1ccccc1COc1ccc(CBr)cc1C(F)(F)F.
What is the InChIKey of 4-(bromomethyl)-1-[(2-fluorophenyl)methoxy]-2-(trifluoromethyl)benzene?
The InChIKey is IRLDYGQBHNIKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF4O/c16-8-10-5-6-14(12(7-10)15(18,19)20)21-9-11-3-1-2-4-13(11)17/h1-7H,8-9H2.
What are the key properties of 4-(bromomethyl)-1-[(2-fluorophenyl)methoxy]-2-(trifluoromethyl)benzene?
4-(bromomethyl)-1-[(2-fluorophenyl)methoxy]-2-(trifluoromethyl)benzene has a molecular weight of 363.15 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-[(2-fluorophenyl)methoxy]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 63534904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).