4,5-difluoro-6-methylidenecyclohexa-2,4-diene-1-carbaldehyde

C8H6F2O — CID 87537612

IUPAC4,5-difluoro-6-methylidenecyclohexa-2,4-diene-1-carbaldehyde
SMILESC=C1C(F)=C(F)C=CC1C=O
InChIInChI=1S/C8H6F2O/c1-5-6(4-11)2-3-7(9)8(5)10/h2-4,6H,1H2
InChIKeyKDCJKYOHPMBJFI-UHFFFAOYSA-N
MW156.13 g/mol
LogP2.08
Rot. Bonds1

About 4,5-difluoro-6-methylidenecyclohexa-2,4-diene-1-carbaldehyde

4,5-difluoro-6-methylidenecyclohexa-2,4-diene-1-carbaldehyde (PubChem CID 87537612) has the molecular formula C8H6F2O and a molecular weight of 156.13 g/mol. Its IUPAC name is 4,5-difluoro-6-methylidenecyclohexa-2,4-diene-1-carbaldehyde.

Molecular Properties

Compound Name4,5-difluoro-6-methylidenecyclohexa-2,4-diene-1-carbaldehyde
PubChem CID87537612
Molecular FormulaC8H6F2O
Molecular Weight156.13 g/mol
Exact Mass156.04
IUPAC Name4,5-difluoro-6-methylidenecyclohexa-2,4-diene-1-carbaldehyde
SMILESC=C1C(F)=C(F)C=CC1C=O
InChIInChI=1S/C8H6F2O/c1-5-6(4-11)2-3-7(9)8(5)10/h2-4,6H,1H2
InChIKeyKDCJKYOHPMBJFI-UHFFFAOYSA-N
XLogP2.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.13
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dihydrobenzaldehyd
CID 12679825
3,4-Dihydrophenylacetaldehyde
CID 18362480
Carbonyl-Benzaldehyd
CID 88729833
1,3-Difluorocyclohexa-2,4-diene-1-carbaldehyde
CID 18407279
6-Fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbaldehyde
CID 19995591
1-Fluorocyclohexa-2,4-diene-1-carbaldehyde
CID 21082201
1,4-Difluorocyclohexa-2,4-diene-1-carbaldehyde
CID 23028752
3,4-Bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde
CID 54224755
6-Fluoro-6-iodocyclohexa-2,4-diene-1-carbaldehyde
CID 87483986
(3Z,4E)-3,4-bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde
CID 87537611
2-Fluoro-3-(trifluoromethyl)cyclohexa-1,5-diene-1-carbaldehyde
CID 88558594
(4Z,6E)-7-fluoro-3-methylidenehepta-4,6-dienal
CID 88905355

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-6-methylidenecyclohexa-2,4-diene-1-carbaldehyde?
The IUPAC name of 4,5-difluoro-6-methylidenecyclohexa-2,4-diene-1-carbaldehyde (CID 87537612) is 4,5-difluoro-6-methylidenecyclohexa-2,4-diene-1-carbaldehyde.
What is the SMILES notation for 4,5-difluoro-6-methylidenecyclohexa-2,4-diene-1-carbaldehyde?
The canonical SMILES for 4,5-difluoro-6-methylidenecyclohexa-2,4-diene-1-carbaldehyde is C=C1C(F)=C(F)C=CC1C=O.
What is the InChIKey of 4,5-difluoro-6-methylidenecyclohexa-2,4-diene-1-carbaldehyde?
The InChIKey is KDCJKYOHPMBJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2O/c1-5-6(4-11)2-3-7(9)8(5)10/h2-4,6H,1H2.
What are the key properties of 4,5-difluoro-6-methylidenecyclohexa-2,4-diene-1-carbaldehyde?
4,5-difluoro-6-methylidenecyclohexa-2,4-diene-1-carbaldehyde has a molecular weight of 156.13 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-6-methylidenecyclohexa-2,4-diene-1-carbaldehyde is sourced from PubChem (CID 87537612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).