1-phenyl-4-[(2S)-1,1,1-trifluoro-4-phenylbutan-2-yl]benzene

C22H19F3 — CID 139124399

IUPAC1-phenyl-4-[(2S)-1,1,1-trifluoro-4-phenylbutan-2-yl]benzene
SMILESFC(F)(F)[C@@H](CCc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19F3/c23-22(24,25)21(16-11-17-7-3-1-4-8-17)20-14-12-19(13-15-20)18-9-5-2-6-10-18/h1-10,12-15,21H,11,16H2/t21-/m0/s1
InChIKeyMMAKPADSHVFNOV-NRFANRHFSA-N
MW340.39 g/mol
LogP6.63
Rot. Bonds5

About 1-phenyl-4-[(2S)-1,1,1-trifluoro-4-phenylbutan-2-yl]benzene

1-phenyl-4-[(2S)-1,1,1-trifluoro-4-phenylbutan-2-yl]benzene (PubChem CID 139124399) has the molecular formula C22H19F3 and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-phenyl-4-[(2S)-1,1,1-trifluoro-4-phenylbutan-2-yl]benzene.

Molecular Properties

Compound Name1-phenyl-4-[(2S)-1,1,1-trifluoro-4-phenylbutan-2-yl]benzene
PubChem CID139124399
Molecular FormulaC22H19F3
Molecular Weight340.39 g/mol
Exact Mass340.14
IUPAC Name1-phenyl-4-[(2S)-1,1,1-trifluoro-4-phenylbutan-2-yl]benzene
SMILESFC(F)(F)[C@@H](CCc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19F3/c23-22(24,25)21(16-11-17-7-3-1-4-8-17)20-14-12-19(13-15-20)18-9-5-2-6-10-18/h1-10,12-15,21H,11,16H2/t21-/m0/s1
InChIKeyMMAKPADSHVFNOV-NRFANRHFSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.39
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3,3-trifluoro-2-(4-phenylphenyl)propan-1-amine
CID 121467476
1,1,1-trifluoro-4-(4-phenylphenyl)butan-2-amine
CID 132588713
ethane;[(2S)-1,1,1-trifluoropentan-2-yl]benzene
CID 170769843
1-bromo-4-[3-phenyl-3-(4-phenylphenyl)propyl]benzene
CID 144705037
(3S)-5-phenyl-3-(trifluoromethyl)pentan-1-ol
CID 129452595
(1,1,1-trifluoro-4-hydroxysulfanylbutan-2-yl)benzene
CID 143594544
(1S)-4,4,4-trifluoro-1-(4-phenylphenyl)butan-1-amine
CID 171228019
1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethyl]benzene
CID 154543676
1,1,1,2,2-pentafluoro-5-phenylpentan-3-amine
CID 175153498
[(1R)-1,3-diphenylpropyl]-trifluoroboranuide
CID 102300911
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
1,1,1-trifluoro-4-phenylbutane-2-sulfonamide
CID 114827612

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[(2S)-1,1,1-trifluoro-4-phenylbutan-2-yl]benzene?
The IUPAC name of 1-phenyl-4-[(2S)-1,1,1-trifluoro-4-phenylbutan-2-yl]benzene (CID 139124399) is 1-phenyl-4-[(2S)-1,1,1-trifluoro-4-phenylbutan-2-yl]benzene.
What is the SMILES notation for 1-phenyl-4-[(2S)-1,1,1-trifluoro-4-phenylbutan-2-yl]benzene?
The canonical SMILES for 1-phenyl-4-[(2S)-1,1,1-trifluoro-4-phenylbutan-2-yl]benzene is FC(F)(F)[C@@H](CCc1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-4-[(2S)-1,1,1-trifluoro-4-phenylbutan-2-yl]benzene?
The InChIKey is MMAKPADSHVFNOV-NRFANRHFSA-N. The full InChI is InChI=1S/C22H19F3/c23-22(24,25)21(16-11-17-7-3-1-4-8-17)20-14-12-19(13-15-20)18-9-5-2-6-10-18/h1-10,12-15,21H,11,16H2/t21-/m0/s1.
What are the key properties of 1-phenyl-4-[(2S)-1,1,1-trifluoro-4-phenylbutan-2-yl]benzene?
1-phenyl-4-[(2S)-1,1,1-trifluoro-4-phenylbutan-2-yl]benzene has a molecular weight of 340.39 g/mol, XLogP of 6.63, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(2S)-1,1,1-trifluoro-4-phenylbutan-2-yl]benzene is sourced from PubChem (CID 139124399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).