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

C9H6F2O — CID 87537611

IUPAC(3Z,4E)-3,4-bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde
SMILESO=Cc1ccc(=C\F)/c(=C\F)c1
InChIInChI=1S/C9H6F2O/c10-4-8-2-1-7(6-12)3-9(8)5-11/h1-6H/b8-4+,9-5-
InChIKeyQFBMGJAVZKCXOW-HXGSSHHBSA-N
MW168.14 g/mol
LogP0.91
Rot. Bonds1

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

(3Z,4E)-3,4-bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde (PubChem CID 87537611) has the molecular formula C9H6F2O and a molecular weight of 168.14 g/mol. Its IUPAC name is (3Z,4E)-3,4-bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde.

Molecular Properties

Compound Name(3Z,4E)-3,4-bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde
PubChem CID87537611
Molecular FormulaC9H6F2O
Molecular Weight168.14 g/mol
Exact Mass168.04
IUPAC Name(3Z,4E)-3,4-bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde
SMILESO=Cc1ccc(=C\F)/c(=C\F)c1
InChIInChI=1S/C9H6F2O/c10-4-8-2-1-7(6-12)3-9(8)5-11/h1-6H/b8-4+,9-5-
InChIKeyQFBMGJAVZKCXOW-HXGSSHHBSA-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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Frequently Asked Questions

What is the IUPAC name of (3Z,4E)-3,4-bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde?
The IUPAC name of (3Z,4E)-3,4-bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde (CID 87537611) is (3Z,4E)-3,4-bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde.
What is the SMILES notation for (3Z,4E)-3,4-bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde?
The canonical SMILES for (3Z,4E)-3,4-bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde is O=Cc1ccc(=C\F)/c(=C\F)c1.
What is the InChIKey of (3Z,4E)-3,4-bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde?
The InChIKey is QFBMGJAVZKCXOW-HXGSSHHBSA-N. The full InChI is InChI=1S/C9H6F2O/c10-4-8-2-1-7(6-12)3-9(8)5-11/h1-6H/b8-4+,9-5-.
What are the key properties of (3Z,4E)-3,4-bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde?
(3Z,4E)-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 (3Z,4E)-3,4-bis(fluoromethylidene)cyclohexa-1,5-diene-1-carbaldehyde is sourced from PubChem (CID 87537611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).