6-fluoro-6-hydroxycyclohexa-2,4-diene-1-carbaldehyde

C7H7FO2 — CID 118142391

IUPAC6-fluoro-6-hydroxycyclohexa-2,4-diene-1-carbaldehyde
SMILESO=CC1C=CC=CC1(O)F
InChIInChI=1S/C7H7FO2/c8-7(10)4-2-1-3-6(7)5-9/h1-6,10H
InChIKeyGLXHMDGKLVUEML-UHFFFAOYSA-N
MW142.13 g/mol
LogP0.59
Rot. Bonds1

About 6-fluoro-6-hydroxycyclohexa-2,4-diene-1-carbaldehyde

6-fluoro-6-hydroxycyclohexa-2,4-diene-1-carbaldehyde (PubChem CID 118142391) has the molecular formula C7H7FO2 and a molecular weight of 142.13 g/mol. Its IUPAC name is 6-fluoro-6-hydroxycyclohexa-2,4-diene-1-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-6-hydroxycyclohexa-2,4-diene-1-carbaldehyde
PubChem CID118142391
Molecular FormulaC7H7FO2
Molecular Weight142.13 g/mol
Exact Mass142.04
IUPAC Name6-fluoro-6-hydroxycyclohexa-2,4-diene-1-carbaldehyde
SMILESO=CC1C=CC=CC1(O)F
InChIInChI=1S/C7H7FO2/c8-7(10)4-2-1-3-6(7)5-9/h1-6,10H
InChIKeyGLXHMDGKLVUEML-UHFFFAOYSA-N
XLogP0.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 50.59
H-Bond Donors ≤ 51
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 6-fluoro-6-hydroxycyclohexa-2,4-diene-1-carbaldehyde?
The IUPAC name of 6-fluoro-6-hydroxycyclohexa-2,4-diene-1-carbaldehyde (CID 118142391) is 6-fluoro-6-hydroxycyclohexa-2,4-diene-1-carbaldehyde.
What is the SMILES notation for 6-fluoro-6-hydroxycyclohexa-2,4-diene-1-carbaldehyde?
The canonical SMILES for 6-fluoro-6-hydroxycyclohexa-2,4-diene-1-carbaldehyde is O=CC1C=CC=CC1(O)F.
What is the InChIKey of 6-fluoro-6-hydroxycyclohexa-2,4-diene-1-carbaldehyde?
The InChIKey is GLXHMDGKLVUEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO2/c8-7(10)4-2-1-3-6(7)5-9/h1-6,10H.
What are the key properties of 6-fluoro-6-hydroxycyclohexa-2,4-diene-1-carbaldehyde?
6-fluoro-6-hydroxycyclohexa-2,4-diene-1-carbaldehyde has a molecular weight of 142.13 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-hydroxycyclohexa-2,4-diene-1-carbaldehyde is sourced from PubChem (CID 118142391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).