6-(4-fluorocyclohex-3-en-1-yl)oxycyclohex-3-ene-1-carbaldehyde

C13H17FO2 — CID 88890731

IUPAC6-(4-fluorocyclohex-3-en-1-yl)oxycyclohex-3-ene-1-carbaldehyde
SMILESO=CC1CC=CCC1OC1CC=C(F)CC1
InChIInChI=1S/C13H17FO2/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-2,5,9-10,12-13H,3-4,6-8H2
InChIKeyYPTUXPGYBOHRBQ-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.94
Rot. Bonds3

About 6-(4-fluorocyclohex-3-en-1-yl)oxycyclohex-3-ene-1-carbaldehyde

6-(4-fluorocyclohex-3-en-1-yl)oxycyclohex-3-ene-1-carbaldehyde (PubChem CID 88890731) has the molecular formula C13H17FO2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 6-(4-fluorocyclohex-3-en-1-yl)oxycyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name6-(4-fluorocyclohex-3-en-1-yl)oxycyclohex-3-ene-1-carbaldehyde
PubChem CID88890731
Molecular FormulaC13H17FO2
Molecular Weight224.27 g/mol
Exact Mass224.12
IUPAC Name6-(4-fluorocyclohex-3-en-1-yl)oxycyclohex-3-ene-1-carbaldehyde
SMILESO=CC1CC=CCC1OC1CC=C(F)CC1
InChIInChI=1S/C13H17FO2/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-2,5,9-10,12-13H,3-4,6-8H2
InChIKeyYPTUXPGYBOHRBQ-UHFFFAOYSA-N
XLogP2.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorocyclohex-3-en-1-yl)oxycyclohex-3-ene-1-carbaldehyde?
The IUPAC name of 6-(4-fluorocyclohex-3-en-1-yl)oxycyclohex-3-ene-1-carbaldehyde (CID 88890731) is 6-(4-fluorocyclohex-3-en-1-yl)oxycyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for 6-(4-fluorocyclohex-3-en-1-yl)oxycyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for 6-(4-fluorocyclohex-3-en-1-yl)oxycyclohex-3-ene-1-carbaldehyde is O=CC1CC=CCC1OC1CC=C(F)CC1.
What is the InChIKey of 6-(4-fluorocyclohex-3-en-1-yl)oxycyclohex-3-ene-1-carbaldehyde?
The InChIKey is YPTUXPGYBOHRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-2,5,9-10,12-13H,3-4,6-8H2.
What are the key properties of 6-(4-fluorocyclohex-3-en-1-yl)oxycyclohex-3-ene-1-carbaldehyde?
6-(4-fluorocyclohex-3-en-1-yl)oxycyclohex-3-ene-1-carbaldehyde has a molecular weight of 224.27 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorocyclohex-3-en-1-yl)oxycyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 88890731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).