2-(2,2-difluoroethenyl)-6-[4-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-2-fluorophenyl]-1-fluoronaphthalene

About 2-(2,2-difluoroethenyl)-6-[4-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-2-fluorophenyl]-1-fluoronaphthalene

2-(2,2-difluoroethenyl)-6-[4-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-2-fluorophenyl]-1-fluoronaphthalene (PubChem CID 139855676) has the molecular formula C29H20F6 and a molecular weight of 482.47 g/mol. Its IUPAC name is 2-(2,2-difluoroethenyl)-6-[4-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-2-fluorophenyl]-1-fluoronaphthalene.

Molecular Properties

Compound Name	2-(2,2-difluoroethenyl)-6-[4-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-2-fluorophenyl]-1-fluoronaphthalene
PubChem CID	139855676
Molecular Formula	C29H20F6
Molecular Weight	482.47 g/mol
Exact Mass	482.15
IUPAC Name	2-(2,2-difluoroethenyl)-6-[4-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-2-fluorophenyl]-1-fluoronaphthalene
SMILES	C/C=C/CCc1cc(F)c(-c2ccc(-c3ccc4c(F)c(C=C(F)F)ccc4c3)c(F)c2)c(F)c1
InChI	InChI=1S/C29H20F6/c1-2-3-4-5-17-12-25(31)28(26(32)13-17)20-9-10-22(24(30)15-20)18-8-11-23-19(14-18)6-7-21(29(23)35)16-27(33)34/h2-3,6-16H,4-5H2,1H3/b3-2+
InChIKey	BXBIGGTVVUVLPT-NSCUHMNNSA-N
XLogP	9.48
TPSA	0.00 Å²
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds	6
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.47
LogP ≤ 5	9.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethenyl)-6-[4-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-2-fluorophenyl]-1-fluoronaphthalene?

The IUPAC name of 2-(2,2-difluoroethenyl)-6-[4-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-2-fluorophenyl]-1-fluoronaphthalene (CID 139855676) is 2-(2,2-difluoroethenyl)-6-[4-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-2-fluorophenyl]-1-fluoronaphthalene.

What is the SMILES notation for 2-(2,2-difluoroethenyl)-6-[4-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-2-fluorophenyl]-1-fluoronaphthalene?

The canonical SMILES for 2-(2,2-difluoroethenyl)-6-[4-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-2-fluorophenyl]-1-fluoronaphthalene is C/C=C/CCc1cc(F)c(-c2ccc(-c3ccc4c(F)c(C=C(F)F)ccc4c3)c(F)c2)c(F)c1.

What is the InChIKey of 2-(2,2-difluoroethenyl)-6-[4-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-2-fluorophenyl]-1-fluoronaphthalene?

The InChIKey is BXBIGGTVVUVLPT-NSCUHMNNSA-N. The full InChI is InChI=1S/C29H20F6/c1-2-3-4-5-17-12-25(31)28(26(32)13-17)20-9-10-22(24(30)15-20)18-8-11-23-19(14-18)6-7-21(29(23)35)16-27(33)34/h2-3,6-16H,4-5H2,1H3/b3-2+.

What are the key properties of 2-(2,2-difluoroethenyl)-6-[4-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-2-fluorophenyl]-1-fluoronaphthalene?

2-(2,2-difluoroethenyl)-6-[4-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-2-fluorophenyl]-1-fluoronaphthalene has a molecular weight of 482.47 g/mol, XLogP of 9.48, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,2-difluoroethenyl)-6-[4-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-2-fluorophenyl]-1-fluoronaphthalene is sourced from PubChem (CID 139855676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).