1-(methoxymethoxy)-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbaldehyde

C10H11F3O3 — CID 141295792

IUPAC1-(methoxymethoxy)-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbaldehyde
SMILESCOCOC1(C=O)C=CC=CC1C(F)(F)F
InChIInChI=1S/C10H11F3O3/c1-15-7-16-9(6-14)5-3-2-4-8(9)10(11,12)13/h2-6,8H,7H2,1H3
InChIKeyCWOSAKQBQJNLNJ-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.85
Rot. Bonds4

About 1-(methoxymethoxy)-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbaldehyde

1-(methoxymethoxy)-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbaldehyde (PubChem CID 141295792) has the molecular formula C10H11F3O3 and a molecular weight of 236.19 g/mol. Its IUPAC name is 1-(methoxymethoxy)-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbaldehyde.

Molecular Properties

Compound Name1-(methoxymethoxy)-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbaldehyde
PubChem CID141295792
Molecular FormulaC10H11F3O3
Molecular Weight236.19 g/mol
Exact Mass236.07
IUPAC Name1-(methoxymethoxy)-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbaldehyde
SMILESCOCOC1(C=O)C=CC=CC1C(F)(F)F
InChIInChI=1S/C10H11F3O3/c1-15-7-16-9(6-14)5-3-2-4-8(9)10(11,12)13/h2-6,8H,7H2,1H3
InChIKeyCWOSAKQBQJNLNJ-UHFFFAOYSA-N
XLogP1.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Fluoro-1-methoxycyclohexa-2,4-diene-1-carbaldehyde
CID 23291758

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxy)-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbaldehyde?
The IUPAC name of 1-(methoxymethoxy)-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbaldehyde (CID 141295792) is 1-(methoxymethoxy)-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbaldehyde.
What is the SMILES notation for 1-(methoxymethoxy)-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbaldehyde?
The canonical SMILES for 1-(methoxymethoxy)-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbaldehyde is COCOC1(C=O)C=CC=CC1C(F)(F)F.
What is the InChIKey of 1-(methoxymethoxy)-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbaldehyde?
The InChIKey is CWOSAKQBQJNLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O3/c1-15-7-16-9(6-14)5-3-2-4-8(9)10(11,12)13/h2-6,8H,7H2,1H3.
What are the key properties of 1-(methoxymethoxy)-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbaldehyde?
1-(methoxymethoxy)-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbaldehyde has a molecular weight of 236.19 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbaldehyde is sourced from PubChem (CID 141295792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).