4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethyl]benzene

C22H19ClF2 — CID 71103035

IUPAC4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethyl]benzene
SMILESFc1cc(Cl)ccc1CCc1ccc(C[C@H](F)c2ccccc2)cc1
InChIInChI=1S/C22H19ClF2/c23-20-13-12-19(22(25)15-20)11-10-16-6-8-17(9-7-16)14-21(24)18-4-2-1-3-5-18/h1-9,12-13,15,21H,10-11,14H2/t21-/m0/s1
InChIKeyQPMZQYXNPOZXDI-NRFANRHFSA-N
MW356.84 g/mol
LogP6.52
Rot. Bonds6

About 4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethyl]benzene

4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethyl]benzene (PubChem CID 71103035) has the molecular formula C22H19ClF2 and a molecular weight of 356.84 g/mol. Its IUPAC name is 4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethyl]benzene.

Molecular Properties

Compound Name4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethyl]benzene
PubChem CID71103035
Molecular FormulaC22H19ClF2
Molecular Weight356.84 g/mol
Exact Mass356.11
IUPAC Name4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethyl]benzene
SMILESFc1cc(Cl)ccc1CCc1ccc(C[C@H](F)c2ccccc2)cc1
InChIInChI=1S/C22H19ClF2/c23-20-13-12-19(22(25)15-20)11-10-16-6-8-17(9-7-16)14-21(24)18-4-2-1-3-5-18/h1-9,12-13,15,21H,10-11,14H2/t21-/m0/s1
InChIKeyQPMZQYXNPOZXDI-NRFANRHFSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.84
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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-chloro-4-[(E)-2-[4-(2-fluoro-2-phenylethyl)phenyl]ethenyl]benzene
CID 21052449
4-(4-chloro-2-fluorophenyl)-1-phenylbutan-1-ol
CID 114860116
1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethyl]benzene
CID 154543676
1-(4-bromo-4-phenylbutyl)-4-chloro-2-fluorobenzene
CID 114860167
[2-(4-chloro-2-fluorophenyl)-1-phenylethyl]hydrazine
CID 105199286
2-fluoro-1-propyl-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethyl]benzene
CID 162550685
3-(4-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 81024440
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine
CID 114855283
4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-chlorophenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2,4-difluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]benzene;1-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]benzene;4-[2-(4-ethoxyphenyl)ethenyl]-2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2S)-2-fluoro-2-phenylethyl]benzene;2-fluoro-1-[(2S)-2-fluoro-2-phenylethyl]-4-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]benzene;2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-(4-propylphenyl)ethenyl]benzene
CID 162193697
2-(3-chloro-4-fluorophenyl)-1-phenylethanamine
CID 81144923

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethyl]benzene?
The IUPAC name of 4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethyl]benzene (CID 71103035) is 4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethyl]benzene.
What is the SMILES notation for 4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethyl]benzene?
The canonical SMILES for 4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethyl]benzene is Fc1cc(Cl)ccc1CCc1ccc(C[C@H](F)c2ccccc2)cc1.
What is the InChIKey of 4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethyl]benzene?
The InChIKey is QPMZQYXNPOZXDI-NRFANRHFSA-N. The full InChI is InChI=1S/C22H19ClF2/c23-20-13-12-19(22(25)15-20)11-10-16-6-8-17(9-7-16)14-21(24)18-4-2-1-3-5-18/h1-9,12-13,15,21H,10-11,14H2/t21-/m0/s1.
What are the key properties of 4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethyl]benzene?
4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethyl]benzene has a molecular weight of 356.84 g/mol, XLogP of 6.52, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethyl]benzene is sourced from PubChem (CID 71103035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).