2,3-difluoro-1-[2-[3-fluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenyl]ethyl]-4-(4-propylphenyl)benzene

C26H21F7 — CID 118858532

About 2,3-difluoro-1-[2-[3-fluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenyl]ethyl]-4-(4-propylphenyl)benzene

2,3-difluoro-1-[2-[3-fluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenyl]ethyl]-4-(4-propylphenyl)benzene (PubChem CID 118858532) has the molecular formula C26H21F7 and a molecular weight of 466.44 g/mol. Its IUPAC name is 2,3-difluoro-1-[2-[3-fluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenyl]ethyl]-4-(4-propylphenyl)benzene.

Molecular Properties

• Compound Name: 2,3-difluoro-1-[2-[3-fluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenyl]ethyl]-4-(4-propylphenyl)benzene
• PubChem CID: 118858532
• Molecular Formula: C26H21F7
• Molecular Weight: 466.44 g/mol
• Exact Mass: 466.15
• IUPAC Name: 2,3-difluoro-1-[2-[3-fluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenyl]ethyl]-4-(4-propylphenyl)benzene
• SMILES: CCCc1ccc(-c2ccc(CCc3ccc(/C(F)=C/C(F)(F)F)c(F)c3)c(F)c2F)cc1
• InChI: InChI=1S/C26H21F7/c1-2-3-16-4-8-18(9-5-16)20-13-11-19(24(29)25(20)30)10-6-17-7-12-21(22(27)14-17)23(28)15-26(31,32)33/h4-5,7-9,11-15H,2-3,6,10H2,1H3/b23-15-
• InChIKey: LJIGUNAKKMSNDI-HAHDFKILSA-N
• XLogP: 8.38
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.44
LogP ≤ 5	8.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[2-[3-fluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenyl]ethyl]-4-(4-propylphenyl)benzene?

The IUPAC name of 2,3-difluoro-1-[2-[3-fluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenyl]ethyl]-4-(4-propylphenyl)benzene (CID 118858532) is 2,3-difluoro-1-[2-[3-fluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenyl]ethyl]-4-(4-propylphenyl)benzene.

What is the SMILES notation for 2,3-difluoro-1-[2-[3-fluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenyl]ethyl]-4-(4-propylphenyl)benzene?

The canonical SMILES for 2,3-difluoro-1-[2-[3-fluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenyl]ethyl]-4-(4-propylphenyl)benzene is CCCc1ccc(-c2ccc(CCc3ccc(/C(F)=C/C(F)(F)F)c(F)c3)c(F)c2F)cc1.

What is the InChIKey of 2,3-difluoro-1-[2-[3-fluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenyl]ethyl]-4-(4-propylphenyl)benzene?

The InChIKey is LJIGUNAKKMSNDI-HAHDFKILSA-N. The full InChI is InChI=1S/C26H21F7/c1-2-3-16-4-8-18(9-5-16)20-13-11-19(24(29)25(20)30)10-6-17-7-12-21(22(27)14-17)23(28)15-26(31,32)33/h4-5,7-9,11-15H,2-3,6,10H2,1H3/b23-15-.

What are the key properties of 2,3-difluoro-1-[2-[3-fluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenyl]ethyl]-4-(4-propylphenyl)benzene?

2,3-difluoro-1-[2-[3-fluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenyl]ethyl]-4-(4-propylphenyl)benzene has a molecular weight of 466.44 g/mol, XLogP of 8.38, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-difluoro-1-[2-[3-fluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenyl]ethyl]-4-(4-propylphenyl)benzene is sourced from PubChem (CID 118858532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).