6-ethoxy-1-fluoro-4-methoxycyclohexa-2,4-diene-1-carbaldehyde

C10H13FO3 — CID 22615128

IUPAC6-ethoxy-1-fluoro-4-methoxycyclohexa-2,4-diene-1-carbaldehyde
SMILESCCOC1C=C(OC)C=CC1(F)C=O
InChIInChI=1S/C10H13FO3/c1-3-14-9-6-8(13-2)4-5-10(9,11)7-12/h4-7,9H,3H2,1-2H3
InChIKeyHZNKFWYIYVUNSH-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.40
Rot. Bonds4

About 6-ethoxy-1-fluoro-4-methoxycyclohexa-2,4-diene-1-carbaldehyde

6-ethoxy-1-fluoro-4-methoxycyclohexa-2,4-diene-1-carbaldehyde (PubChem CID 22615128) has the molecular formula C10H13FO3 and a molecular weight of 200.21 g/mol. Its IUPAC name is 6-ethoxy-1-fluoro-4-methoxycyclohexa-2,4-diene-1-carbaldehyde.

Molecular Properties

Compound Name6-ethoxy-1-fluoro-4-methoxycyclohexa-2,4-diene-1-carbaldehyde
PubChem CID22615128
Molecular FormulaC10H13FO3
Molecular Weight200.21 g/mol
Exact Mass200.08
IUPAC Name6-ethoxy-1-fluoro-4-methoxycyclohexa-2,4-diene-1-carbaldehyde
SMILESCCOC1C=C(OC)C=CC1(F)C=O
InChIInChI=1S/C10H13FO3/c1-3-14-9-6-8(13-2)4-5-10(9,11)7-12/h4-7,9H,3H2,1-2H3
InChIKeyHZNKFWYIYVUNSH-UHFFFAOYSA-N
XLogP1.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.40
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 6-ethoxy-1-fluoro-4-methoxycyclohexa-2,4-diene-1-carbaldehyde?
The IUPAC name of 6-ethoxy-1-fluoro-4-methoxycyclohexa-2,4-diene-1-carbaldehyde (CID 22615128) is 6-ethoxy-1-fluoro-4-methoxycyclohexa-2,4-diene-1-carbaldehyde.
What is the SMILES notation for 6-ethoxy-1-fluoro-4-methoxycyclohexa-2,4-diene-1-carbaldehyde?
The canonical SMILES for 6-ethoxy-1-fluoro-4-methoxycyclohexa-2,4-diene-1-carbaldehyde is CCOC1C=C(OC)C=CC1(F)C=O.
What is the InChIKey of 6-ethoxy-1-fluoro-4-methoxycyclohexa-2,4-diene-1-carbaldehyde?
The InChIKey is HZNKFWYIYVUNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO3/c1-3-14-9-6-8(13-2)4-5-10(9,11)7-12/h4-7,9H,3H2,1-2H3.
What are the key properties of 6-ethoxy-1-fluoro-4-methoxycyclohexa-2,4-diene-1-carbaldehyde?
6-ethoxy-1-fluoro-4-methoxycyclohexa-2,4-diene-1-carbaldehyde has a molecular weight of 200.21 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1-fluoro-4-methoxycyclohexa-2,4-diene-1-carbaldehyde is sourced from PubChem (CID 22615128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).