3,5-difluoro-6-hydroxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde

C8H8F2O2 — CID 89284532

IUPAC3,5-difluoro-6-hydroxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde
SMILESCC1(O)C(F)=CC(F)=CC1C=O
InChIInChI=1S/C8H8F2O2/c1-8(12)5(4-11)2-6(9)3-7(8)10/h2-5,12H,1H3
InChIKeyYQKGZMMVQHJODE-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.27
Rot. Bonds1

About 3,5-difluoro-6-hydroxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde

3,5-difluoro-6-hydroxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde (PubChem CID 89284532) has the molecular formula C8H8F2O2 and a molecular weight of 174.15 g/mol. Its IUPAC name is 3,5-difluoro-6-hydroxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde.

Molecular Properties

Compound Name3,5-difluoro-6-hydroxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde
PubChem CID89284532
Molecular FormulaC8H8F2O2
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name3,5-difluoro-6-hydroxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde
SMILESCC1(O)C(F)=CC(F)=CC1C=O
InChIInChI=1S/C8H8F2O2/c1-8(12)5(4-11)2-6(9)3-7(8)10/h2-5,12H,1H3
InChIKeyYQKGZMMVQHJODE-UHFFFAOYSA-N
XLogP1.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-Diformylphenol
CID 129772352
5,6-Difluoro-6-hydroxycyclohexa-2,4-diene-1-carbaldehyde
CID 87255795
2-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-yl]acetaldehyde
CID 90795713
6-Fluoro-6-hydroxycyclohexa-2,4-diene-1-carbaldehyde
CID 118142391
6-Fluoro-6-hydroxy-3-methoxycyclohexa-2,4-diene-1-carbaldehyde
CID 150736632
3,5-Difluoro-6-hydroxycyclohexa-2,4-diene-1-carbaldehyde
CID 163914576
2,6-Difluoro-6-hydroxycyclohexa-2,4-diene-1-carbaldehyde
CID 168158564
4,6-Difluoro-6-hydroxycyclohexa-2,4-diene-1-carbaldehyde
CID 172225136
2-Methyl-4-methoxy salicylaldehyde
CID 150693999
6-Ethyl-6-hydroxycyclohexa-2,4-diene-1-carbaldehyde
CID 90317976
Ethane;6-hydroxycyclohexa-2,4-diene-1-carbaldehyde
CID 91604958
6-Hydroxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde
CID 139331672

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-6-hydroxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde?
The IUPAC name of 3,5-difluoro-6-hydroxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde (CID 89284532) is 3,5-difluoro-6-hydroxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde.
What is the SMILES notation for 3,5-difluoro-6-hydroxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde?
The canonical SMILES for 3,5-difluoro-6-hydroxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde is CC1(O)C(F)=CC(F)=CC1C=O.
What is the InChIKey of 3,5-difluoro-6-hydroxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde?
The InChIKey is YQKGZMMVQHJODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O2/c1-8(12)5(4-11)2-6(9)3-7(8)10/h2-5,12H,1H3.
What are the key properties of 3,5-difluoro-6-hydroxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde?
3,5-difluoro-6-hydroxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde has a molecular weight of 174.15 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-6-hydroxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde is sourced from PubChem (CID 89284532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).