2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene

C32H48F2O — CID 90161639

About 2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene

2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene (PubChem CID 90161639) has the molecular formula C32H48F2O and a molecular weight of 486.73 g/mol. Its IUPAC name is 2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene.

Molecular Properties

• Compound Name: 2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene
• PubChem CID: 90161639
• Molecular Formula: C32H48F2O
• Molecular Weight: 486.73 g/mol
• Exact Mass: 486.37
• IUPAC Name: 2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene
• SMILES: C/C=C/Oc1ccc(CCC2CCC(C3CCC(C4CCC(CCC)CC4)CC3)CC2)c(F)c1F
• InChI: InChI=1S/C32H48F2O/c1-3-5-23-6-11-25(12-7-23)27-16-18-28(19-17-27)26-13-8-24(9-14-26)10-15-29-20-21-30(35-22-4-2)32(34)31(29)33/h4,20-28H,3,5-19H2,1-2H3/b22-4+
• InChIKey: DSNIRZGCQRCWDM-LKNXVUQUSA-N
• XLogP: 10.03
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.73
LogP ≤ 5	10.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene?

The IUPAC name of 2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene (CID 90161639) is 2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene.

What is the SMILES notation for 2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene?

The canonical SMILES for 2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene is C/C=C/Oc1ccc(CCC2CCC(C3CCC(C4CCC(CCC)CC4)CC3)CC2)c(F)c1F.

What is the InChIKey of 2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene?

The InChIKey is DSNIRZGCQRCWDM-LKNXVUQUSA-N. The full InChI is InChI=1S/C32H48F2O/c1-3-5-23-6-11-25(12-7-23)27-16-18-28(19-17-27)26-13-8-24(9-14-26)10-15-29-20-21-30(35-22-4-2)32(34)31(29)33/h4,20-28H,3,5-19H2,1-2H3/b22-4+.

What are the key properties of 2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene?

2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene has a molecular weight of 486.73 g/mol, XLogP of 10.03, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene is sourced from PubChem (CID 90161639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).