2,4-difluoro-1-(2,2,2-trimethoxyethyl)benzene

C11H14F2O3 — CID 64561411

IUPAC2,4-difluoro-1-(2,2,2-trimethoxyethyl)benzene
SMILESCOC(Cc1ccc(F)cc1F)(OC)OC
InChIInChI=1S/C11H14F2O3/c1-14-11(15-2,16-3)7-8-4-5-9(12)6-10(8)13/h4-6H,7H2,1-3H3
InChIKeyFJWLQZCKLNLXMO-UHFFFAOYSA-N
MW232.23 g/mol
LogP2.10
Rot. Bonds5

About 2,4-difluoro-1-(2,2,2-trimethoxyethyl)benzene

2,4-difluoro-1-(2,2,2-trimethoxyethyl)benzene (PubChem CID 64561411) has the molecular formula C11H14F2O3 and a molecular weight of 232.23 g/mol. Its IUPAC name is 2,4-difluoro-1-(2,2,2-trimethoxyethyl)benzene.

Molecular Properties

Compound Name2,4-difluoro-1-(2,2,2-trimethoxyethyl)benzene
PubChem CID64561411
Molecular FormulaC11H14F2O3
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name2,4-difluoro-1-(2,2,2-trimethoxyethyl)benzene
SMILESCOC(Cc1ccc(F)cc1F)(OC)OC
InChIInChI=1S/C11H14F2O3/c1-14-11(15-2,16-3)7-8-4-5-9(12)6-10(8)13/h4-6H,7H2,1-3H3
InChIKeyFJWLQZCKLNLXMO-UHFFFAOYSA-N
XLogP2.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-2,2-dimethylpropyl)-2,4-difluorobenzene
CID 66048183
2-[(2,4-difluorophenyl)methyl]-3-methoxy-2-methyl-3-oxopropanoic acid
CID 114899612
1-(2,4-difluorophenyl)-3-methoxy-3-methylbutan-2-ol
CID 79197177
2-[(2,4-difluorophenyl)methyl]-2-fluoro-3-methylbutan-1-amine
CID 112566952
3-(2,4-difluorophenyl)-2,2-difluoropropanoic acid
CID 116838253
1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-2-amine
CID 62197982
2,4-difluoro-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 58214144
CID 58696093
CID 58696093
1-(2,4-difluorophenyl)-2-(2-methylphenyl)propan-2-ol
CID 62198136
1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2,4-difluorobenzene
CID 83150796
2-(2,4-difluorophenyl)ethyl-dihydroxy-methoxysilane
CID 90170768
2-[(2,4-difluorophenyl)methyl]-N,2-dimethylbut-3-en-1-amine
CID 102640578

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-(2,2,2-trimethoxyethyl)benzene?
The IUPAC name of 2,4-difluoro-1-(2,2,2-trimethoxyethyl)benzene (CID 64561411) is 2,4-difluoro-1-(2,2,2-trimethoxyethyl)benzene.
What is the SMILES notation for 2,4-difluoro-1-(2,2,2-trimethoxyethyl)benzene?
The canonical SMILES for 2,4-difluoro-1-(2,2,2-trimethoxyethyl)benzene is COC(Cc1ccc(F)cc1F)(OC)OC.
What is the InChIKey of 2,4-difluoro-1-(2,2,2-trimethoxyethyl)benzene?
The InChIKey is FJWLQZCKLNLXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O3/c1-14-11(15-2,16-3)7-8-4-5-9(12)6-10(8)13/h4-6H,7H2,1-3H3.
What are the key properties of 2,4-difluoro-1-(2,2,2-trimethoxyethyl)benzene?
2,4-difluoro-1-(2,2,2-trimethoxyethyl)benzene has a molecular weight of 232.23 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-(2,2,2-trimethoxyethyl)benzene is sourced from PubChem (CID 64561411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).