4-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]benzaldehyde

C18H22F2O — CID 139686999

IUPAC4-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]benzaldehyde
SMILESCCCC1CCC(/C(F)=C(\F)c2ccc(C=O)cc2)CC1
InChIInChI=1S/C18H22F2O/c1-2-3-13-4-8-15(9-5-13)17(19)18(20)16-10-6-14(12-21)7-11-16/h6-7,10-13,15H,2-5,8-9H2,1H3/b18-17+
InChIKeyIFCANTUOMQXLPA-ISLYRVAYSA-N
MW292.37 g/mol
LogP5.71
Rot. Bonds5

About 4-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]benzaldehyde

4-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]benzaldehyde (PubChem CID 139686999) has the molecular formula C18H22F2O and a molecular weight of 292.37 g/mol. Its IUPAC name is 4-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]benzaldehyde.

Molecular Properties

Compound Name4-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]benzaldehyde
PubChem CID139686999
Molecular FormulaC18H22F2O
Molecular Weight292.37 g/mol
Exact Mass292.16
IUPAC Name4-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]benzaldehyde
SMILESCCCC1CCC(/C(F)=C(\F)c2ccc(C=O)cc2)CC1
InChIInChI=1S/C18H22F2O/c1-2-3-13-4-8-15(9-5-13)17(19)18(20)16-10-6-14(12-21)7-11-16/h6-7,10-13,15H,2-5,8-9H2,1H3/b18-17+
InChIKeyIFCANTUOMQXLPA-ISLYRVAYSA-N
XLogP5.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.37
LogP ≤ 55.71
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 4-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]benzaldehyde?
The IUPAC name of 4-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]benzaldehyde (CID 139686999) is 4-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]benzaldehyde.
What is the SMILES notation for 4-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]benzaldehyde?
The canonical SMILES for 4-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]benzaldehyde is CCCC1CCC(/C(F)=C(\F)c2ccc(C=O)cc2)CC1.
What is the InChIKey of 4-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]benzaldehyde?
The InChIKey is IFCANTUOMQXLPA-ISLYRVAYSA-N. The full InChI is InChI=1S/C18H22F2O/c1-2-3-13-4-8-15(9-5-13)17(19)18(20)16-10-6-14(12-21)7-11-16/h6-7,10-13,15H,2-5,8-9H2,1H3/b18-17+.
What are the key properties of 4-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]benzaldehyde?
4-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]benzaldehyde has a molecular weight of 292.37 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]benzaldehyde is sourced from PubChem (CID 139686999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).