3,4-bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde

C9H6F2O — CID 54224755

IUPAC3,4-bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde
SMILESO=Cc1ccc(=CF)c(=CF)c1
InChIInChI=1S/C9H6F2O/c10-4-8-2-1-7(6-12)3-9(8)5-11/h1-6H
InChIKeyQFBMGJAVZKCXOW-UHFFFAOYSA-N
MW168.14 g/mol
LogP0.91
Rot. Bonds1

About 3,4-bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde

3,4-bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde (PubChem CID 54224755) has the molecular formula C9H6F2O and a molecular weight of 168.14 g/mol. Its IUPAC name is 3,4-bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde.

Molecular Properties

Compound Name3,4-bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde
PubChem CID54224755
Molecular FormulaC9H6F2O
Molecular Weight168.14 g/mol
Exact Mass168.04
IUPAC Name3,4-bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde
SMILESO=Cc1ccc(=CF)c(=CF)c1
InChIInChI=1S/C9H6F2O/c10-4-8-2-1-7(6-12)3-9(8)5-11/h1-6H
InChIKeyQFBMGJAVZKCXOW-UHFFFAOYSA-N
XLogP0.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 50.91
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

2-Ethenylhex-2-enal
CID 163195894
3,4-Dihydrobenzaldehyde
CID 13077178
Benzaldehyde;yttrium
CID 59971411
3-(2,3,3-Trifluorocyclobuten-1-yl)prop-2-enal
CID 54327827
4-(Trifluoromethyl)benzene-5-ide-1-carbaldehyde;yttrium
CID 59965095
(E,2E)-2-ethylidene-5,5,5-trifluoro-4-methylpent-3-enal
CID 59994318
(3Z,4E)-3,4-bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde
CID 87537611
4,5-Difluoro-6-methylidenecyclohexa-2,4-diene-1-carbaldehyde
CID 87537612
(E)-3-(1,5-difluorocyclohexa-2,4-dien-1-yl)prop-2-enal
CID 87563566
(E)-3-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]prop-2-enal
CID 88230652
4-Fluorocyclohexa-1,3-diene-1-carbaldehyde
CID 88269999
2,4-Difluoro-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carbaldehyde
CID 88448385

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde?
The IUPAC name of 3,4-bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde (CID 54224755) is 3,4-bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde.
What is the SMILES notation for 3,4-bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde?
The canonical SMILES for 3,4-bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde is O=Cc1ccc(=CF)c(=CF)c1.
What is the InChIKey of 3,4-bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde?
The InChIKey is QFBMGJAVZKCXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2O/c10-4-8-2-1-7(6-12)3-9(8)5-11/h1-6H.
What are the key properties of 3,4-bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde?
3,4-bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde has a molecular weight of 168.14 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde is sourced from PubChem (CID 54224755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).