2-chloro-1-[4-(chloromethyl)phenoxy]-4-fluorobenzene

C13H9Cl2FO — CID 55221605

IUPAC2-chloro-1-[4-(chloromethyl)phenoxy]-4-fluorobenzene
SMILESFc1ccc(Oc2ccc(CCl)cc2)c(Cl)c1
InChIInChI=1S/C13H9Cl2FO/c14-8-9-1-4-11(5-2-9)17-13-6-3-10(16)7-12(13)15/h1-7H,8H2
InChIKeyFXZRVZONCWPJNN-UHFFFAOYSA-N
MW271.12 g/mol
LogP5.01
Rot. Bonds3

About 2-chloro-1-[4-(chloromethyl)phenoxy]-4-fluorobenzene

2-chloro-1-[4-(chloromethyl)phenoxy]-4-fluorobenzene (PubChem CID 55221605) has the molecular formula C13H9Cl2FO and a molecular weight of 271.12 g/mol. Its IUPAC name is 2-chloro-1-[4-(chloromethyl)phenoxy]-4-fluorobenzene.

Molecular Properties

Compound Name2-chloro-1-[4-(chloromethyl)phenoxy]-4-fluorobenzene
PubChem CID55221605
Molecular FormulaC13H9Cl2FO
Molecular Weight271.12 g/mol
Exact Mass270.00
IUPAC Name2-chloro-1-[4-(chloromethyl)phenoxy]-4-fluorobenzene
SMILESFc1ccc(Oc2ccc(CCl)cc2)c(Cl)c1
InChIInChI=1S/C13H9Cl2FO/c14-8-9-1-4-11(5-2-9)17-13-6-3-10(16)7-12(13)15/h1-7H,8H2
InChIKeyFXZRVZONCWPJNN-UHFFFAOYSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.12
LogP ≤ 55.01
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-[4-(bromomethyl)phenoxy]-2-chloro-4-fluorobenzene
CID 107087882
N-[[4-(2-chloro-4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 63552019
1-chloro-3-[4-(chloromethyl)phenoxy]-2-fluorobenzene
CID 116689418
N-[[4-(2-chloro-4-fluorophenoxy)phenyl]methyl]propan-1-amine
CID 63551840
1,2-bis[4-(chloromethyl)phenoxy]benzene
CID 54463677
1-(chloromethyl)-4-(2-fluorophenoxy)benzene
CID 22293096
1-chloro-3-(2-chloro-4-fluorophenoxy)-2-(chloromethyl)benzene
CID 63567494
(1S)-1-[4-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 63374529
4-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenoxy)aniline
CID 139337332
4-chloro-2-(chloromethyl)-1-(4-fluorophenoxy)benzene
CID 114846972
4-[2-chloro-4-(chloromethyl)phenoxy]-2-fluorobenzonitrile
CID 81152393
2-bromo-4-chloro-1-[4-(chloromethyl)phenoxy]benzene
CID 28947286

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-(chloromethyl)phenoxy]-4-fluorobenzene?
The IUPAC name of 2-chloro-1-[4-(chloromethyl)phenoxy]-4-fluorobenzene (CID 55221605) is 2-chloro-1-[4-(chloromethyl)phenoxy]-4-fluorobenzene.
What is the SMILES notation for 2-chloro-1-[4-(chloromethyl)phenoxy]-4-fluorobenzene?
The canonical SMILES for 2-chloro-1-[4-(chloromethyl)phenoxy]-4-fluorobenzene is Fc1ccc(Oc2ccc(CCl)cc2)c(Cl)c1.
What is the InChIKey of 2-chloro-1-[4-(chloromethyl)phenoxy]-4-fluorobenzene?
The InChIKey is FXZRVZONCWPJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FO/c14-8-9-1-4-11(5-2-9)17-13-6-3-10(16)7-12(13)15/h1-7H,8H2.
What are the key properties of 2-chloro-1-[4-(chloromethyl)phenoxy]-4-fluorobenzene?
2-chloro-1-[4-(chloromethyl)phenoxy]-4-fluorobenzene has a molecular weight of 271.12 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-(chloromethyl)phenoxy]-4-fluorobenzene is sourced from PubChem (CID 55221605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).