2,4-difluoro-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene

C18H28F2O6 — CID 58214144

IUPAC2,4-difluoro-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
SMILESCOCCOCCOCCOCCOCCOCc1ccc(F)cc1F
InChIInChI=1S/C18H28F2O6/c1-21-4-5-22-6-7-23-8-9-24-10-11-25-12-13-26-15-16-2-3-17(19)14-18(16)20/h2-3,14H,4-13,15H2,1H3
InChIKeyQLPNEHQPJBIWRX-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.19
Rot. Bonds17

About 2,4-difluoro-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene

2,4-difluoro-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene (PubChem CID 58214144) has the molecular formula C18H28F2O6 and a molecular weight of 378.41 g/mol. Its IUPAC name is 2,4-difluoro-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene.

Molecular Properties

Compound Name2,4-difluoro-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
PubChem CID58214144
Molecular FormulaC18H28F2O6
Molecular Weight378.41 g/mol
Exact Mass378.19
IUPAC Name2,4-difluoro-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
SMILESCOCCOCCOCCOCCOCCOCc1ccc(F)cc1F
InChIInChI=1S/C18H28F2O6/c1-21-4-5-22-6-7-23-8-9-24-10-11-25-12-13-26-15-16-2-3-17(19)14-18(16)20/h2-3,14H,4-13,15H2,1H3
InChIKeyQLPNEHQPJBIWRX-UHFFFAOYSA-N
XLogP2.19
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-fluoro-1-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 104564389
3-fluoro-4-(2-methoxyethoxymethyl)benzenecarbothioamide
CID 24706679
3-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol
CID 104564489
5-fluoro-N'-hydroxy-2-(2-methoxyethoxymethyl)benzenecarboximidamide
CID 76994379
(E)-3-[5-fluoro-2-(2-methoxyethoxymethyl)phenyl]prop-2-enoic acid
CID 94233123
3-[3-fluoro-4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]prop-2-yn-1-amine
CID 103404213
N-[(2,4-difluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide
CID 103610141
3-fluoro-4-(3-methoxypropoxymethyl)aniline
CID 64768894
[3-fluoro-4-(3-methoxypropoxymethyl)phenyl]methanamine
CID 60919309
2-[(2,4-difluorophenyl)methoxy]-N-methylacetohydrazide
CID 116845352
4-chloro-1-(2-ethoxyethoxymethyl)-2-fluorobenzene
CID 170255219
1-(2,4-difluorophenyl)-2-(2-methoxyethoxy)ethanone
CID 43798986

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene?
The IUPAC name of 2,4-difluoro-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene (CID 58214144) is 2,4-difluoro-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene.
What is the SMILES notation for 2,4-difluoro-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene?
The canonical SMILES for 2,4-difluoro-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene is COCCOCCOCCOCCOCCOCc1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene?
The InChIKey is QLPNEHQPJBIWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F2O6/c1-21-4-5-22-6-7-23-8-9-24-10-11-25-12-13-26-15-16-2-3-17(19)14-18(16)20/h2-3,14H,4-13,15H2,1H3.
What are the key properties of 2,4-difluoro-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene?
2,4-difluoro-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene has a molecular weight of 378.41 g/mol, XLogP of 2.19, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene is sourced from PubChem (CID 58214144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).