1,2,4-trichloro-5-[3-(chloromethyl)-5-fluorophenoxy]benzene

C13H7Cl4FO — CID 106530586

IUPAC1,2,4-trichloro-5-[3-(chloromethyl)-5-fluorophenoxy]benzene
SMILESFc1cc(CCl)cc(Oc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C13H7Cl4FO/c14-6-7-1-8(18)3-9(2-7)19-13-5-11(16)10(15)4-12(13)17/h1-5H,6H2
InChIKeyGERSHCBENFMZJB-UHFFFAOYSA-N
MW340.01 g/mol
LogP6.32
Rot. Bonds3

About 1,2,4-trichloro-5-[3-(chloromethyl)-5-fluorophenoxy]benzene

1,2,4-trichloro-5-[3-(chloromethyl)-5-fluorophenoxy]benzene (PubChem CID 106530586) has the molecular formula C13H7Cl4FO and a molecular weight of 340.01 g/mol. Its IUPAC name is 1,2,4-trichloro-5-[3-(chloromethyl)-5-fluorophenoxy]benzene.

Molecular Properties

Compound Name1,2,4-trichloro-5-[3-(chloromethyl)-5-fluorophenoxy]benzene
PubChem CID106530586
Molecular FormulaC13H7Cl4FO
Molecular Weight340.01 g/mol
Exact Mass337.92
IUPAC Name1,2,4-trichloro-5-[3-(chloromethyl)-5-fluorophenoxy]benzene
SMILESFc1cc(CCl)cc(Oc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C13H7Cl4FO/c14-6-7-1-8(18)3-9(2-7)19-13-5-11(16)10(15)4-12(13)17/h1-5H,6H2
InChIKeyGERSHCBENFMZJB-UHFFFAOYSA-N
XLogP6.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.01
LogP ≤ 56.32
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

[3-fluoro-5-(2,4,5-trichlorophenoxy)phenyl]methanol
CID 106530101
1-(chloromethyl)-3-(2,5-dimethylphenoxy)-5-fluorobenzene
CID 106530613
1-chloro-2-[3-(chloromethyl)-5-fluorophenoxy]-4-nitrobenzene
CID 106530691
[3-(4-bromo-2,5-dichlorophenoxy)-5-fluorophenyl]methanamine
CID 107655084
1-chloro-4-[3-(chloromethyl)-5-fluorophenoxy]-2-methylbenzene
CID 106530583
1-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-5-fluorobenzene
CID 106530632
5-chloro-8-[3-(chloromethyl)-5-fluorophenoxy]quinoline
CID 106530629
1-(chloromethyl)-3-fluoro-5-(4-methylphenoxy)benzene
CID 106530587
4-[3-(chloromethyl)-5-fluorophenoxy]-3-fluorobenzonitrile
CID 107666281
2-chloro-1-[4-(chloromethyl)phenoxy]-4-fluorobenzene
CID 55221605
4-[3-(chloromethyl)-5-fluorophenoxy]-3-methoxybenzonitrile
CID 106530597
2-[3-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533549

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trichloro-5-[3-(chloromethyl)-5-fluorophenoxy]benzene?
The IUPAC name of 1,2,4-trichloro-5-[3-(chloromethyl)-5-fluorophenoxy]benzene (CID 106530586) is 1,2,4-trichloro-5-[3-(chloromethyl)-5-fluorophenoxy]benzene.
What is the SMILES notation for 1,2,4-trichloro-5-[3-(chloromethyl)-5-fluorophenoxy]benzene?
The canonical SMILES for 1,2,4-trichloro-5-[3-(chloromethyl)-5-fluorophenoxy]benzene is Fc1cc(CCl)cc(Oc2cc(Cl)c(Cl)cc2Cl)c1.
What is the InChIKey of 1,2,4-trichloro-5-[3-(chloromethyl)-5-fluorophenoxy]benzene?
The InChIKey is GERSHCBENFMZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl4FO/c14-6-7-1-8(18)3-9(2-7)19-13-5-11(16)10(15)4-12(13)17/h1-5H,6H2.
What are the key properties of 1,2,4-trichloro-5-[3-(chloromethyl)-5-fluorophenoxy]benzene?
1,2,4-trichloro-5-[3-(chloromethyl)-5-fluorophenoxy]benzene has a molecular weight of 340.01 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trichloro-5-[3-(chloromethyl)-5-fluorophenoxy]benzene is sourced from PubChem (CID 106530586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).