4,6-difluoro-6-methoxycyclohexa-2,4-diene-1-carbaldehyde

C8H8F2O2 — CID 87216344

IUPAC4,6-difluoro-6-methoxycyclohexa-2,4-diene-1-carbaldehyde
SMILESCOC1(F)C=C(F)C=CC1C=O
InChIInChI=1S/C8H8F2O2/c1-12-8(10)4-7(9)3-2-6(8)5-11/h2-6H,1H3
InChIKeyZMEUXKCCMOONIJ-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.54
Rot. Bonds2

About 4,6-difluoro-6-methoxycyclohexa-2,4-diene-1-carbaldehyde

4,6-difluoro-6-methoxycyclohexa-2,4-diene-1-carbaldehyde (PubChem CID 87216344) has the molecular formula C8H8F2O2 and a molecular weight of 174.15 g/mol. Its IUPAC name is 4,6-difluoro-6-methoxycyclohexa-2,4-diene-1-carbaldehyde.

Molecular Properties

Compound Name4,6-difluoro-6-methoxycyclohexa-2,4-diene-1-carbaldehyde
PubChem CID87216344
Molecular FormulaC8H8F2O2
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name4,6-difluoro-6-methoxycyclohexa-2,4-diene-1-carbaldehyde
SMILESCOC1(F)C=C(F)C=CC1C=O
InChIInChI=1S/C8H8F2O2/c1-12-8(10)4-7(9)3-2-6(8)5-11/h2-6H,1H3
InChIKeyZMEUXKCCMOONIJ-UHFFFAOYSA-N
XLogP1.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-6-methoxycyclohexa-2,4-diene-1-carbaldehyde?
The IUPAC name of 4,6-difluoro-6-methoxycyclohexa-2,4-diene-1-carbaldehyde (CID 87216344) is 4,6-difluoro-6-methoxycyclohexa-2,4-diene-1-carbaldehyde.
What is the SMILES notation for 4,6-difluoro-6-methoxycyclohexa-2,4-diene-1-carbaldehyde?
The canonical SMILES for 4,6-difluoro-6-methoxycyclohexa-2,4-diene-1-carbaldehyde is COC1(F)C=C(F)C=CC1C=O.
What is the InChIKey of 4,6-difluoro-6-methoxycyclohexa-2,4-diene-1-carbaldehyde?
The InChIKey is ZMEUXKCCMOONIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O2/c1-12-8(10)4-7(9)3-2-6(8)5-11/h2-6H,1H3.
What are the key properties of 4,6-difluoro-6-methoxycyclohexa-2,4-diene-1-carbaldehyde?
4,6-difluoro-6-methoxycyclohexa-2,4-diene-1-carbaldehyde has a molecular weight of 174.15 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-6-methoxycyclohexa-2,4-diene-1-carbaldehyde is sourced from PubChem (CID 87216344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).