2,6-difluoro-3,4-dimethoxycyclohexa-1,3-diene-1-carbaldehyde

C9H10F2O3 — CID 155885423

IUPAC2,6-difluoro-3,4-dimethoxycyclohexa-1,3-diene-1-carbaldehyde
SMILESCOC1=C(OC)C(F)=C(C=O)C(F)C1
InChIInChI=1S/C9H10F2O3/c1-13-7-3-6(10)5(4-12)8(11)9(7)14-2/h4,6H,3H2,1-2H3
InChIKeyUVIAYSQICVHQKI-UHFFFAOYSA-N
MW204.17 g/mol
LogP1.66
Rot. Bonds3

About 2,6-difluoro-3,4-dimethoxycyclohexa-1,3-diene-1-carbaldehyde

2,6-difluoro-3,4-dimethoxycyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 155885423) has the molecular formula C9H10F2O3 and a molecular weight of 204.17 g/mol. Its IUPAC name is 2,6-difluoro-3,4-dimethoxycyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name2,6-difluoro-3,4-dimethoxycyclohexa-1,3-diene-1-carbaldehyde
PubChem CID155885423
Molecular FormulaC9H10F2O3
Molecular Weight204.17 g/mol
Exact Mass204.06
IUPAC Name2,6-difluoro-3,4-dimethoxycyclohexa-1,3-diene-1-carbaldehyde
SMILESCOC1=C(OC)C(F)=C(C=O)C(F)C1
InChIInChI=1S/C9H10F2O3/c1-13-7-3-6(10)5(4-12)8(11)9(7)14-2/h4,6H,3H2,1-2H3
InChIKeyUVIAYSQICVHQKI-UHFFFAOYSA-N
XLogP1.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.17
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3,4-dimethoxycyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 2,6-difluoro-3,4-dimethoxycyclohexa-1,3-diene-1-carbaldehyde (CID 155885423) is 2,6-difluoro-3,4-dimethoxycyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 2,6-difluoro-3,4-dimethoxycyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 2,6-difluoro-3,4-dimethoxycyclohexa-1,3-diene-1-carbaldehyde is COC1=C(OC)C(F)=C(C=O)C(F)C1.
What is the InChIKey of 2,6-difluoro-3,4-dimethoxycyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is UVIAYSQICVHQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O3/c1-13-7-3-6(10)5(4-12)8(11)9(7)14-2/h4,6H,3H2,1-2H3.
What are the key properties of 2,6-difluoro-3,4-dimethoxycyclohexa-1,3-diene-1-carbaldehyde?
2,6-difluoro-3,4-dimethoxycyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 204.17 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3,4-dimethoxycyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 155885423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).