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

C23H20ClF3 — CID 154543676

IUPAC1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethyl]benzene
SMILESFC(F)(F)[C@@H](Cc1ccc(CCc2ccc(Cl)cc2)cc1)c1ccccc1
InChIInChI=1S/C23H20ClF3/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/h1-5,8-15,22H,6-7,16H2/t22-/m0/s1
InChIKeyMBSSWFZIUOIUPX-QFIPXVFZSA-N
MW388.86 g/mol
LogP7.01
Rot. Bonds6

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

1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethyl]benzene (PubChem CID 154543676) has the molecular formula C23H20ClF3 and a molecular weight of 388.86 g/mol. Its IUPAC name is 1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethyl]benzene
PubChem CID154543676
Molecular FormulaC23H20ClF3
Molecular Weight388.86 g/mol
Exact Mass388.12
IUPAC Name1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethyl]benzene
SMILESFC(F)(F)[C@@H](Cc1ccc(CCc2ccc(Cl)cc2)cc1)c1ccccc1
InChIInChI=1S/C23H20ClF3/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/h1-5,8-15,22H,6-7,16H2/t22-/m0/s1
InChIKeyMBSSWFZIUOIUPX-QFIPXVFZSA-N
XLogP7.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.86
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698674
2-fluoro-1-propyl-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethyl]benzene
CID 162550685
1-methoxy-4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]benzene
CID 139809698
1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]benzene
CID 58698493
1,2-difluoro-4-[(E)-2-[4-(3,3,3-trifluoro-2-phenylpropyl)phenyl]ethenyl]benzene
CID 21052475
1-pent-3-enyl-4-[2-[4-[(2R)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
CID 91115547
4-[2-(4-chlorophenyl)ethenyl]-2-fluoro-1-[(2R)-3,3,3-trifluoro-2-phenylpropyl]benzene
CID 58698513
4-chloro-2-fluoro-1-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethyl]benzene
CID 71103035
1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]benzene
CID 58699453
2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698539
2-(4-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052629
azane;1-chloro-4-(2-phenylpropyl)benzene
CID 67712446

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethyl]benzene?
The IUPAC name of 1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethyl]benzene (CID 154543676) is 1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethyl]benzene.
What is the SMILES notation for 1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethyl]benzene?
The canonical SMILES for 1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethyl]benzene is FC(F)(F)[C@@H](Cc1ccc(CCc2ccc(Cl)cc2)cc1)c1ccccc1.
What is the InChIKey of 1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethyl]benzene?
The InChIKey is MBSSWFZIUOIUPX-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H20ClF3/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/h1-5,8-15,22H,6-7,16H2/t22-/m0/s1.
What are the key properties of 1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethyl]benzene?
1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethyl]benzene has a molecular weight of 388.86 g/mol, XLogP of 7.01, 6 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]ethyl]benzene is sourced from PubChem (CID 154543676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).