1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-2,4,5-trifluorobenzene

C14H9BrClF3O — CID 89437055

IUPAC1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-2,4,5-trifluorobenzene
SMILESFc1cc(F)c(COc2ccc(Cl)cc2CBr)cc1F
InChIInChI=1S/C14H9BrClF3O/c15-6-8-3-10(16)1-2-14(8)20-7-9-4-12(18)13(19)5-11(9)17/h1-5H,6-7H2
InChIKeyYVLRLVGGVHHENV-UHFFFAOYSA-N
MW365.58 g/mol
LogP5.23
Rot. Bonds4

About 1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-2,4,5-trifluorobenzene

1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-2,4,5-trifluorobenzene (PubChem CID 89437055) has the molecular formula C14H9BrClF3O and a molecular weight of 365.58 g/mol. Its IUPAC name is 1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-2,4,5-trifluorobenzene.

Molecular Properties

Compound Name1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-2,4,5-trifluorobenzene
PubChem CID89437055
Molecular FormulaC14H9BrClF3O
Molecular Weight365.58 g/mol
Exact Mass363.95
IUPAC Name1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-2,4,5-trifluorobenzene
SMILESFc1cc(F)c(COc2ccc(Cl)cc2CBr)cc1F
InChIInChI=1S/C14H9BrClF3O/c15-6-8-3-10(16)1-2-14(8)20-7-9-4-12(18)13(19)5-11(9)17/h1-5H,6-7H2
InChIKeyYVLRLVGGVHHENV-UHFFFAOYSA-N
XLogP5.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.58
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-chloro-2-fluorobenzene
CID 89437045
2-(bromomethyl)-1-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorobenzene
CID 107698978
2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene
CID 65316926
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-fluoro-2-(trifluoromethyl)benzene
CID 89437014
2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene;ethane
CID 143249325
1-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-2-(bromomethyl)-4-chlorobenzene
CID 89437755
5-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-2-fluorobenzonitrile
CID 107882586
2-(bromomethyl)-1-[(2,5-dichlorophenyl)methoxy]-4-methoxybenzene
CID 65317020
2-[[5-(bromomethyl)-2-methoxyphenoxy]methyl]-4-chloro-1-fluorobenzene
CID 103047043
2-(bromomethyl)-4-chloro-1-propoxybenzene
CID 43142008
2-(bromomethyl)-4-chloro-1-(2-methylpropoxy)benzene
CID 43142000
2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene
CID 43142012

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-2,4,5-trifluorobenzene?
The IUPAC name of 1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-2,4,5-trifluorobenzene (CID 89437055) is 1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-2,4,5-trifluorobenzene.
What is the SMILES notation for 1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-2,4,5-trifluorobenzene?
The canonical SMILES for 1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-2,4,5-trifluorobenzene is Fc1cc(F)c(COc2ccc(Cl)cc2CBr)cc1F.
What is the InChIKey of 1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-2,4,5-trifluorobenzene?
The InChIKey is YVLRLVGGVHHENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF3O/c15-6-8-3-10(16)1-2-14(8)20-7-9-4-12(18)13(19)5-11(9)17/h1-5H,6-7H2.
What are the key properties of 1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-2,4,5-trifluorobenzene?
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-2,4,5-trifluorobenzene has a molecular weight of 365.58 g/mol, XLogP of 5.23, 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]-2,4,5-trifluorobenzene is sourced from PubChem (CID 89437055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).