1-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene

C20H16F6 — CID 123987060

IUPAC1-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene
SMILESCCCc1ccc(C(F)=C(F)c2ccc(C(F)=CC(F)(F)F)cc2)cc1
InChIInChI=1S/C20H16F6/c1-2-3-13-4-6-15(7-5-13)18(22)19(23)16-10-8-14(9-11-16)17(21)12-20(24,25)26/h4-12H,2-3H2,1H3
InChIKeyNRYJOJMHMPDALB-UHFFFAOYSA-N
MW370.34 g/mol
LogP7.28
Rot. Bonds5

About 1-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene

1-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene (PubChem CID 123987060) has the molecular formula C20H16F6 and a molecular weight of 370.34 g/mol. Its IUPAC name is 1-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene.

Molecular Properties

Compound Name1-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene
PubChem CID123987060
Molecular FormulaC20H16F6
Molecular Weight370.34 g/mol
Exact Mass370.12
IUPAC Name1-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene
SMILESCCCc1ccc(C(F)=C(F)c2ccc(C(F)=CC(F)(F)F)cc2)cc1
InChIInChI=1S/C20H16F6/c1-2-3-13-4-6-15(7-5-13)18(22)19(23)16-10-8-14(9-11-16)17(21)12-20(24,25)26/h4-12H,2-3H2,1H3
InChIKeyNRYJOJMHMPDALB-UHFFFAOYSA-N
XLogP7.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.34
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene?
The IUPAC name of 1-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene (CID 123987060) is 1-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene.
What is the SMILES notation for 1-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene?
The canonical SMILES for 1-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene is CCCc1ccc(C(F)=C(F)c2ccc(C(F)=CC(F)(F)F)cc2)cc1.
What is the InChIKey of 1-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene?
The InChIKey is NRYJOJMHMPDALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F6/c1-2-3-13-4-6-15(7-5-13)18(22)19(23)16-10-8-14(9-11-16)17(21)12-20(24,25)26/h4-12H,2-3H2,1H3.
What are the key properties of 1-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene?
1-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene has a molecular weight of 370.34 g/mol, XLogP of 7.28, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene is sourced from PubChem (CID 123987060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).