4-chloro-1-(difluoromethoxy)cyclohexa-2,4-diene-1-carbaldehyde

C8H7ClF2O2 — CID 134238297

IUPAC4-chloro-1-(difluoromethoxy)cyclohexa-2,4-diene-1-carbaldehyde
SMILESO=CC1(OC(F)F)C=CC(Cl)=CC1
InChIInChI=1S/C8H7ClF2O2/c9-6-1-3-8(5-12,4-2-6)13-7(10)11/h1-3,5,7H,4H2
InChIKeyCTZVGHCBIJYXAQ-UHFFFAOYSA-N
MW208.59 g/mol
LogP2.25
Rot. Bonds3

About 4-chloro-1-(difluoromethoxy)cyclohexa-2,4-diene-1-carbaldehyde

4-chloro-1-(difluoromethoxy)cyclohexa-2,4-diene-1-carbaldehyde (PubChem CID 134238297) has the molecular formula C8H7ClF2O2 and a molecular weight of 208.59 g/mol. Its IUPAC name is 4-chloro-1-(difluoromethoxy)cyclohexa-2,4-diene-1-carbaldehyde.

Molecular Properties

Compound Name4-chloro-1-(difluoromethoxy)cyclohexa-2,4-diene-1-carbaldehyde
PubChem CID134238297
Molecular FormulaC8H7ClF2O2
Molecular Weight208.59 g/mol
Exact Mass208.01
IUPAC Name4-chloro-1-(difluoromethoxy)cyclohexa-2,4-diene-1-carbaldehyde
SMILESO=CC1(OC(F)F)C=CC(Cl)=CC1
InChIInChI=1S/C8H7ClF2O2/c9-6-1-3-8(5-12,4-2-6)13-7(10)11/h1-3,5,7H,4H2
InChIKeyCTZVGHCBIJYXAQ-UHFFFAOYSA-N
XLogP2.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.59
LogP ≤ 52.25
H-Bond Donors ≤ 50
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 4-chloro-1-(difluoromethoxy)cyclohexa-2,4-diene-1-carbaldehyde?
The IUPAC name of 4-chloro-1-(difluoromethoxy)cyclohexa-2,4-diene-1-carbaldehyde (CID 134238297) is 4-chloro-1-(difluoromethoxy)cyclohexa-2,4-diene-1-carbaldehyde.
What is the SMILES notation for 4-chloro-1-(difluoromethoxy)cyclohexa-2,4-diene-1-carbaldehyde?
The canonical SMILES for 4-chloro-1-(difluoromethoxy)cyclohexa-2,4-diene-1-carbaldehyde is O=CC1(OC(F)F)C=CC(Cl)=CC1.
What is the InChIKey of 4-chloro-1-(difluoromethoxy)cyclohexa-2,4-diene-1-carbaldehyde?
The InChIKey is CTZVGHCBIJYXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2O2/c9-6-1-3-8(5-12,4-2-6)13-7(10)11/h1-3,5,7H,4H2.
What are the key properties of 4-chloro-1-(difluoromethoxy)cyclohexa-2,4-diene-1-carbaldehyde?
4-chloro-1-(difluoromethoxy)cyclohexa-2,4-diene-1-carbaldehyde has a molecular weight of 208.59 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(difluoromethoxy)cyclohexa-2,4-diene-1-carbaldehyde is sourced from PubChem (CID 134238297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).