5-(chloromethyl)-1,3-difluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene

C14H19ClF2O4 — CID 104564276

IUPAC5-(chloromethyl)-1,3-difluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
SMILESCOCCOCCOCCOc1c(F)cc(CCl)cc1F
InChIInChI=1S/C14H19ClF2O4/c1-18-2-3-19-4-5-20-6-7-21-14-12(16)8-11(10-15)9-13(14)17/h8-9H,2-7,10H2,1H3
InChIKeyAGVXKNUKHHLEJL-UHFFFAOYSA-N
MW324.75 g/mol
LogP2.76
Rot. Bonds11

About 5-(chloromethyl)-1,3-difluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene

5-(chloromethyl)-1,3-difluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene (PubChem CID 104564276) has the molecular formula C14H19ClF2O4 and a molecular weight of 324.75 g/mol. Its IUPAC name is 5-(chloromethyl)-1,3-difluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name5-(chloromethyl)-1,3-difluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
PubChem CID104564276
Molecular FormulaC14H19ClF2O4
Molecular Weight324.75 g/mol
Exact Mass324.09
IUPAC Name5-(chloromethyl)-1,3-difluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
SMILESCOCCOCCOCCOc1c(F)cc(CCl)cc1F
InChIInChI=1S/C14H19ClF2O4/c1-18-2-3-19-4-5-20-6-7-21-14-12(16)8-11(10-15)9-13(14)17/h8-9H,2-7,10H2,1H3
InChIKeyAGVXKNUKHHLEJL-UHFFFAOYSA-N
XLogP2.76
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.75
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-1,3-difluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene 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

2-[2-(4-bromophenoxy)ethoxy]-5-(chloromethyl)-1,3-difluorobenzene
CID 79881325
5-(chloromethyl)-1,3-dimethoxy-2-[2-(3-methoxypropoxy)ethoxy]benzene
CID 103180740
1-[3,5-difluoro-4-(2-methoxyethoxy)phenyl]butan-2-amine
CID 79888080
[3,5-difluoro-4-(4-methoxybutoxy)phenyl]methanamine
CID 104647126
3,5-difluoro-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103178174
4-(chloromethyl)-2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine
CID 104564267
5-[4-(chloromethyl)-2,6-difluorophenoxy]-2,2-dimethylpentanenitrile
CID 79888422
2-tert-butyl-4-(chloromethyl)-6-[2-(2-methoxyethoxy)ethoxy]pyridine
CID 104564258
5-(chloromethyl)-1,3-difluoro-2-prop-2-ynoxybenzene
CID 57445703
2-[4-(chloromethyl)-2,6-difluorophenoxy]acetonitrile
CID 79888430
2-[2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]ethoxy]ethanol
CID 79891777
5-bromo-1-(chloromethyl)-2-[2-(2-methoxyethoxy)ethoxy]-3-methylbenzene
CID 112621295

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1,3-difluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene?
The IUPAC name of 5-(chloromethyl)-1,3-difluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene (CID 104564276) is 5-(chloromethyl)-1,3-difluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene.
What is the SMILES notation for 5-(chloromethyl)-1,3-difluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene?
The canonical SMILES for 5-(chloromethyl)-1,3-difluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene is COCCOCCOCCOc1c(F)cc(CCl)cc1F.
What is the InChIKey of 5-(chloromethyl)-1,3-difluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene?
The InChIKey is AGVXKNUKHHLEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF2O4/c1-18-2-3-19-4-5-20-6-7-21-14-12(16)8-11(10-15)9-13(14)17/h8-9H,2-7,10H2,1H3.
What are the key properties of 5-(chloromethyl)-1,3-difluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene?
5-(chloromethyl)-1,3-difluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene has a molecular weight of 324.75 g/mol, XLogP of 2.76, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1,3-difluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene is sourced from PubChem (CID 104564276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).