1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-fluoro-2-(trifluoromethyl)benzene

C15H10BrClF4O — CID 89437014

IUPAC1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-fluoro-2-(trifluoromethyl)benzene
SMILESFc1ccc(COc2ccc(Cl)cc2CBr)c(C(F)(F)F)c1
InChIInChI=1S/C15H10BrClF4O/c16-7-10-5-11(17)2-4-14(10)22-8-9-1-3-12(18)6-13(9)15(19,20)21/h1-6H,7-8H2
InChIKeyYXWHNMOLSQSACP-UHFFFAOYSA-N
MW397.59 g/mol
LogP5.97
Rot. Bonds4

About 1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-fluoro-2-(trifluoromethyl)benzene

1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-fluoro-2-(trifluoromethyl)benzene (PubChem CID 89437014) has the molecular formula C15H10BrClF4O and a molecular weight of 397.59 g/mol. Its IUPAC name is 1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-fluoro-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-fluoro-2-(trifluoromethyl)benzene
PubChem CID89437014
Molecular FormulaC15H10BrClF4O
Molecular Weight397.59 g/mol
Exact Mass395.95
IUPAC Name1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-fluoro-2-(trifluoromethyl)benzene
SMILESFc1ccc(COc2ccc(Cl)cc2CBr)c(C(F)(F)F)c1
InChIInChI=1S/C15H10BrClF4O/c16-7-10-5-11(17)2-4-14(10)22-8-9-1-3-12(18)6-13(9)15(19,20)21/h1-6H,7-8H2
InChIKeyYXWHNMOLSQSACP-UHFFFAOYSA-N
XLogP5.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.59
LogP ≤ 55.97
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-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-2-(bromomethyl)-4-chlorobenzene
CID 89437755
2-(bromomethyl)-1-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorobenzene
CID 107698978
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-chloro-2-fluorobenzene
CID 89437045
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-2,4,5-trifluorobenzene
CID 89437055
2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene
CID 65316926
2-(bromomethyl)-4-chloro-1-(2,2,2-trifluoroethoxymethoxy)benzene
CID 106705221
1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 62196739
2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1-chloro-4-fluorobenzene
CID 102616579
1-[2-(bromomethyl)-4-fluorophenoxy]-4-chloro-2-fluorobenzene
CID 114267907
4-[(2,5-dichlorophenoxy)methyl]-3-(trifluoromethyl)aniline
CID 81117044
2-(bromomethyl)-4-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 89437019
2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene;ethane
CID 143249325

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-fluoro-2-(trifluoromethyl)benzene?
The IUPAC name of 1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-fluoro-2-(trifluoromethyl)benzene (CID 89437014) is 1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-fluoro-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-fluoro-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-fluoro-2-(trifluoromethyl)benzene is Fc1ccc(COc2ccc(Cl)cc2CBr)c(C(F)(F)F)c1.
What is the InChIKey of 1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-fluoro-2-(trifluoromethyl)benzene?
The InChIKey is YXWHNMOLSQSACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClF4O/c16-7-10-5-11(17)2-4-14(10)22-8-9-1-3-12(18)6-13(9)15(19,20)21/h1-6H,7-8H2.
What are the key properties of 1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-fluoro-2-(trifluoromethyl)benzene?
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-fluoro-2-(trifluoromethyl)benzene has a molecular weight of 397.59 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-fluoro-2-(trifluoromethyl)benzene is sourced from PubChem (CID 89437014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).