4-chloro-1-(chloromethoxymethyl)-2-fluorobenzene

C8H7Cl2FO — CID 166609586

IUPAC4-chloro-1-(chloromethoxymethyl)-2-fluorobenzene
SMILESFc1cc(Cl)ccc1COCCl
InChIInChI=1S/C8H7Cl2FO/c9-5-12-4-6-1-2-7(10)3-8(6)11/h1-3H,4-5H2
InChIKeyLHYORKGVKISNKV-UHFFFAOYSA-N
MW209.05 g/mol
LogP3.19
Rot. Bonds3

About 4-chloro-1-(chloromethoxymethyl)-2-fluorobenzene

4-chloro-1-(chloromethoxymethyl)-2-fluorobenzene (PubChem CID 166609586) has the molecular formula C8H7Cl2FO and a molecular weight of 209.05 g/mol. Its IUPAC name is 4-chloro-1-(chloromethoxymethyl)-2-fluorobenzene.

Molecular Properties

Compound Name4-chloro-1-(chloromethoxymethyl)-2-fluorobenzene
PubChem CID166609586
Molecular FormulaC8H7Cl2FO
Molecular Weight209.05 g/mol
Exact Mass207.99
IUPAC Name4-chloro-1-(chloromethoxymethyl)-2-fluorobenzene
SMILESFc1cc(Cl)ccc1COCCl
InChIInChI=1S/C8H7Cl2FO/c9-5-12-4-6-1-2-7(10)3-8(6)11/h1-3H,4-5H2
InChIKeyLHYORKGVKISNKV-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.05
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-chloro-1-(chloromethoxymethyl)-2-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-1-(2-ethoxyethoxymethyl)-2-fluorobenzene
CID 170255219
2-[(4-chloro-2-fluorophenyl)methoxy]ethyl-methylazanide
CID 155624791
2-[(4-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)-1,3-difluorobenzene
CID 114850377
O-[2-(4-chloro-2-fluorophenyl)ethyl]hydroxylamine
CID 117281685
3-[(4-chloro-2-fluorophenyl)methoxy]-N-propan-2-ylpropan-1-amine
CID 114850573
4-chloro-2-fluoro-1-[(4-nitrophenyl)methoxymethyl]benzene
CID 155534061
1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 97046774
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-chloro-2-fluorobenzene
CID 89437045
1-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 114849366
4-(chloromethyl)-3-fluorophenol
CID 54246792
1-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]hexan-2-one
CID 135222321
4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene
CID 114860237

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(chloromethoxymethyl)-2-fluorobenzene?
The IUPAC name of 4-chloro-1-(chloromethoxymethyl)-2-fluorobenzene (CID 166609586) is 4-chloro-1-(chloromethoxymethyl)-2-fluorobenzene.
What is the SMILES notation for 4-chloro-1-(chloromethoxymethyl)-2-fluorobenzene?
The canonical SMILES for 4-chloro-1-(chloromethoxymethyl)-2-fluorobenzene is Fc1cc(Cl)ccc1COCCl.
What is the InChIKey of 4-chloro-1-(chloromethoxymethyl)-2-fluorobenzene?
The InChIKey is LHYORKGVKISNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2FO/c9-5-12-4-6-1-2-7(10)3-8(6)11/h1-3H,4-5H2.
What are the key properties of 4-chloro-1-(chloromethoxymethyl)-2-fluorobenzene?
4-chloro-1-(chloromethoxymethyl)-2-fluorobenzene has a molecular weight of 209.05 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(chloromethoxymethyl)-2-fluorobenzene is sourced from PubChem (CID 166609586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).