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

C11H14ClFO2 — CID 170255219

IUPAC4-chloro-1-(2-ethoxyethoxymethyl)-2-fluorobenzene
SMILESCCOCCOCc1ccc(Cl)cc1F
InChIInChI=1S/C11H14ClFO2/c1-2-14-5-6-15-8-9-3-4-10(12)7-11(9)13/h3-4,7H,2,5-6,8H2,1H3
InChIKeyWYDVIQALVVJQEX-UHFFFAOYSA-N
MW232.68 g/mol
LogP3.03
Rot. Bonds6

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

4-chloro-1-(2-ethoxyethoxymethyl)-2-fluorobenzene (PubChem CID 170255219) has the molecular formula C11H14ClFO2 and a molecular weight of 232.68 g/mol. Its IUPAC name is 4-chloro-1-(2-ethoxyethoxymethyl)-2-fluorobenzene.

Molecular Properties

Compound Name4-chloro-1-(2-ethoxyethoxymethyl)-2-fluorobenzene
PubChem CID170255219
Molecular FormulaC11H14ClFO2
Molecular Weight232.68 g/mol
Exact Mass232.07
IUPAC Name4-chloro-1-(2-ethoxyethoxymethyl)-2-fluorobenzene
SMILESCCOCCOCc1ccc(Cl)cc1F
InChIInChI=1S/C11H14ClFO2/c1-2-14-5-6-15-8-9-3-4-10(12)7-11(9)13/h3-4,7H,2,5-6,8H2,1H3
InChIKeyWYDVIQALVVJQEX-UHFFFAOYSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.68
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 155624791
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1-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]hexan-2-one
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2,4-difluoro-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 58214144
4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene
CID 114860237
1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 97046774
carbon dioxide;4-chloro-1-ethyl-2-fluorobenzene;(4-chloro-2-fluorophenyl)methyl formate
CID 157101002
1-(4-chloro-2-fluorophenyl)-3-propoxypropan-2-amine
CID 114855448
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxypropan-2-amine
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CID 62336671

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-ethoxyethoxymethyl)-2-fluorobenzene?
The IUPAC name of 4-chloro-1-(2-ethoxyethoxymethyl)-2-fluorobenzene (CID 170255219) is 4-chloro-1-(2-ethoxyethoxymethyl)-2-fluorobenzene.
What is the SMILES notation for 4-chloro-1-(2-ethoxyethoxymethyl)-2-fluorobenzene?
The canonical SMILES for 4-chloro-1-(2-ethoxyethoxymethyl)-2-fluorobenzene is CCOCCOCc1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-1-(2-ethoxyethoxymethyl)-2-fluorobenzene?
The InChIKey is WYDVIQALVVJQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO2/c1-2-14-5-6-15-8-9-3-4-10(12)7-11(9)13/h3-4,7H,2,5-6,8H2,1H3.
What are the key properties of 4-chloro-1-(2-ethoxyethoxymethyl)-2-fluorobenzene?
4-chloro-1-(2-ethoxyethoxymethyl)-2-fluorobenzene has a molecular weight of 232.68 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-ethoxyethoxymethyl)-2-fluorobenzene is sourced from PubChem (CID 170255219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).