[2,6-difluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]methanol

C10H14F2O3 — CID 154426593

IUPAC[2,6-difluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]methanol
SMILESCOCCOC1(F)C=CC=C(F)C1CO
InChIInChI=1S/C10H14F2O3/c1-14-5-6-15-10(12)4-2-3-9(11)8(10)7-13/h2-4,8,13H,5-7H2,1H3
InChIKeyJGBGNXQBVDTRQB-UHFFFAOYSA-N
MW220.21 g/mol
LogP1.35
Rot. Bonds5

About [2,6-difluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]methanol

[2,6-difluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]methanol (PubChem CID 154426593) has the molecular formula C10H14F2O3 and a molecular weight of 220.21 g/mol. Its IUPAC name is [2,6-difluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[2,6-difluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]methanol
PubChem CID154426593
Molecular FormulaC10H14F2O3
Molecular Weight220.21 g/mol
Exact Mass220.09
IUPAC Name[2,6-difluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]methanol
SMILESCOCCOC1(F)C=CC=C(F)C1CO
InChIInChI=1S/C10H14F2O3/c1-14-5-6-15-10(12)4-2-3-9(11)8(10)7-13/h2-4,8,13H,5-7H2,1H3
InChIKeyJGBGNXQBVDTRQB-UHFFFAOYSA-N
XLogP1.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,6-difluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of [2,6-difluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]methanol (CID 154426593) is [2,6-difluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for [2,6-difluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for [2,6-difluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]methanol is COCCOC1(F)C=CC=C(F)C1CO.
What is the InChIKey of [2,6-difluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is JGBGNXQBVDTRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O3/c1-14-5-6-15-10(12)4-2-3-9(11)8(10)7-13/h2-4,8,13H,5-7H2,1H3.
What are the key properties of [2,6-difluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]methanol?
[2,6-difluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 220.21 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-difluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 154426593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).