1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene

C23H18ClF3 — CID 58698674

IUPAC1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
SMILESFC(F)(F)[C@@H](Cc1ccc(C=Cc2ccc(Cl)cc2)cc1)c1ccccc1
InChIInChI=1S/C23H18ClF3/c24-21-14-12-18(13-15-21)7-6-17-8-10-19(11-9-17)16-22(23(25,26)27)20-4-2-1-3-5-20/h1-15,22H,16H2/t22-/m0/s1
InChIKeyCZLLTUUOPBLGHJ-QFIPXVFZSA-N
MW386.84 g/mol
LogP7.40
Rot. Bonds5

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

1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene (PubChem CID 58698674) has the molecular formula C23H18ClF3 and a molecular weight of 386.84 g/mol. Its IUPAC name is 1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
PubChem CID58698674
Molecular FormulaC23H18ClF3
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
SMILESFC(F)(F)[C@@H](Cc1ccc(C=Cc2ccc(Cl)cc2)cc1)c1ccccc1
InChIInChI=1S/C23H18ClF3/c24-21-14-12-18(13-15-21)7-6-17-8-10-19(11-9-17)16-22(23(25,26)27)20-4-2-1-3-5-20/h1-15,22H,16H2/t22-/m0/s1
InChIKeyCZLLTUUOPBLGHJ-QFIPXVFZSA-N
XLogP7.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.84
LogP ≤ 57.40
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

1,2-difluoro-4-[(E)-2-[4-(3,3,3-trifluoro-2-phenylpropyl)phenyl]ethenyl]benzene
CID 21052475
1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethyl]benzene
CID 154543676
4-[2-(4-chlorophenyl)ethenyl]-2-fluoro-1-[(2R)-3,3,3-trifluoro-2-phenylpropyl]benzene
CID 58698513
1-chloro-4-[(E)-2-[4-(2-fluoro-2-phenylethyl)phenyl]ethenyl]benzene
CID 21052449
1-pent-3-enyl-4-[2-[4-[(2R)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
CID 91115547
1-ethoxy-2-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698147
1-ethoxy-2-fluoro-4-[(E)-2-[4-(3,3,3-trifluoro-2-phenylpropyl)phenyl]ethenyl]benzene
CID 21052617
2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698539
1-methoxy-4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]benzene
CID 139809698
1-chloro-2-fluoro-4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]benzene
CID 21052595
2-fluoro-1-propyl-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethyl]benzene
CID 162550685
1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]benzene
CID 58699453

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene?
The IUPAC name of 1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene (CID 58698674) is 1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene.
What is the SMILES notation for 1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene?
The canonical SMILES for 1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene is FC(F)(F)[C@@H](Cc1ccc(C=Cc2ccc(Cl)cc2)cc1)c1ccccc1.
What is the InChIKey of 1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene?
The InChIKey is CZLLTUUOPBLGHJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H18ClF3/c24-21-14-12-18(13-15-21)7-6-17-8-10-19(11-9-17)16-22(23(25,26)27)20-4-2-1-3-5-20/h1-15,22H,16H2/t22-/m0/s1.
What are the key properties of 1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene?
1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene has a molecular weight of 386.84 g/mol, XLogP of 7.40, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene is sourced from PubChem (CID 58698674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).