1,2-difluoro-4-[(E)-2-[4-(3,3,3-trifluoro-2-phenylpropyl)phenyl]ethenyl]benzene

C23H17F5 — CID 21052475

IUPAC1,2-difluoro-4-[(E)-2-[4-(3,3,3-trifluoro-2-phenylpropyl)phenyl]ethenyl]benzene
SMILESFc1ccc(/C=C/c2ccc(CC(c3ccccc3)C(F)(F)F)cc2)cc1F
InChIInChI=1S/C23H17F5/c24-21-13-12-18(15-22(21)25)11-8-16-6-9-17(10-7-16)14-20(23(26,27)28)19-4-2-1-3-5-19/h1-13,15,20H,14H2/b11-8+
InChIKeyIEYCSXSIGWKOIQ-DHZHZOJOSA-N
MW388.38 g/mol
LogP7.02
Rot. Bonds5

About 1,2-difluoro-4-[(E)-2-[4-(3,3,3-trifluoro-2-phenylpropyl)phenyl]ethenyl]benzene

1,2-difluoro-4-[(E)-2-[4-(3,3,3-trifluoro-2-phenylpropyl)phenyl]ethenyl]benzene (PubChem CID 21052475) has the molecular formula C23H17F5 and a molecular weight of 388.38 g/mol. Its IUPAC name is 1,2-difluoro-4-[(E)-2-[4-(3,3,3-trifluoro-2-phenylpropyl)phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[(E)-2-[4-(3,3,3-trifluoro-2-phenylpropyl)phenyl]ethenyl]benzene
PubChem CID21052475
Molecular FormulaC23H17F5
Molecular Weight388.38 g/mol
Exact Mass388.13
IUPAC Name1,2-difluoro-4-[(E)-2-[4-(3,3,3-trifluoro-2-phenylpropyl)phenyl]ethenyl]benzene
SMILESFc1ccc(/C=C/c2ccc(CC(c3ccccc3)C(F)(F)F)cc2)cc1F
InChIInChI=1S/C23H17F5/c24-21-13-12-18(15-22(21)25)11-8-16-6-9-17(10-7-16)14-20(23(26,27)28)19-4-2-1-3-5-19/h1-13,15,20H,14H2/b11-8+
InChIKeyIEYCSXSIGWKOIQ-DHZHZOJOSA-N
XLogP7.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.38
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698674
1-ethoxy-2-fluoro-4-[(E)-2-[4-(3,3,3-trifluoro-2-phenylpropyl)phenyl]ethenyl]benzene
CID 21052617
1-ethoxy-2-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698147
4-[2-(4-chlorophenyl)ethenyl]-2-fluoro-1-[(2R)-3,3,3-trifluoro-2-phenylpropyl]benzene
CID 58698513
2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698539
1-pent-3-enyl-4-[2-[4-[(2R)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
CID 91115547
1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethyl]benzene
CID 154543676
1-chloro-2-fluoro-4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]benzene
CID 21052595
2-fluoro-4-[(E)-2-[4-(2-fluoro-2-phenylethyl)phenyl]ethenyl]-1-propylbenzene
CID 21052814
2-fluoro-4-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]-1-propylbenzene
CID 58698955
1-methoxy-4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]benzene
CID 139809698
2-fluoro-1-propyl-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethyl]benzene
CID 162550685

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[(E)-2-[4-(3,3,3-trifluoro-2-phenylpropyl)phenyl]ethenyl]benzene?
The IUPAC name of 1,2-difluoro-4-[(E)-2-[4-(3,3,3-trifluoro-2-phenylpropyl)phenyl]ethenyl]benzene (CID 21052475) is 1,2-difluoro-4-[(E)-2-[4-(3,3,3-trifluoro-2-phenylpropyl)phenyl]ethenyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[(E)-2-[4-(3,3,3-trifluoro-2-phenylpropyl)phenyl]ethenyl]benzene?
The canonical SMILES for 1,2-difluoro-4-[(E)-2-[4-(3,3,3-trifluoro-2-phenylpropyl)phenyl]ethenyl]benzene is Fc1ccc(/C=C/c2ccc(CC(c3ccccc3)C(F)(F)F)cc2)cc1F.
What is the InChIKey of 1,2-difluoro-4-[(E)-2-[4-(3,3,3-trifluoro-2-phenylpropyl)phenyl]ethenyl]benzene?
The InChIKey is IEYCSXSIGWKOIQ-DHZHZOJOSA-N. The full InChI is InChI=1S/C23H17F5/c24-21-13-12-18(15-22(21)25)11-8-16-6-9-17(10-7-16)14-20(23(26,27)28)19-4-2-1-3-5-19/h1-13,15,20H,14H2/b11-8+.
What are the key properties of 1,2-difluoro-4-[(E)-2-[4-(3,3,3-trifluoro-2-phenylpropyl)phenyl]ethenyl]benzene?
1,2-difluoro-4-[(E)-2-[4-(3,3,3-trifluoro-2-phenylpropyl)phenyl]ethenyl]benzene has a molecular weight of 388.38 g/mol, XLogP of 7.02, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[(E)-2-[4-(3,3,3-trifluoro-2-phenylpropyl)phenyl]ethenyl]benzene is sourced from PubChem (CID 21052475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).