(2R,3S)-2-(4-chlorophenyl)-3,5-diphenyl-4-(trifluoromethylsulfonyl)-2,3-dihydrofuran

C23H16ClF3O3S — CID 46910333

IUPAC(2R,3S)-2-(4-chlorophenyl)-3,5-diphenyl-4-(trifluoromethylsulfonyl)-2,3-dihydrofuran
SMILESO=S(=O)(C1=C(c2ccccc2)O[C@@H](c2ccc(Cl)cc2)[C@@H]1c1ccccc1)C(F)(F)F
InChIInChI=1S/C23H16ClF3O3S/c24-18-13-11-17(12-14-18)20-19(15-7-3-1-4-8-15)22(31(28,29)23(25,26)27)21(30-20)16-9-5-2-6-10-16/h1-14,19-20H/t19-,20-/m0/s1
InChIKeyQDWYNQPDUGBWNX-PMACEKPBSA-N
MW464.89 g/mol
LogP6.50
Rot. Bonds4

About (2R,3S)-2-(4-chlorophenyl)-3,5-diphenyl-4-(trifluoromethylsulfonyl)-2,3-dihydrofuran

(2R,3S)-2-(4-chlorophenyl)-3,5-diphenyl-4-(trifluoromethylsulfonyl)-2,3-dihydrofuran (PubChem CID 46910333) has the molecular formula C23H16ClF3O3S and a molecular weight of 464.89 g/mol. Its IUPAC name is (2R,3S)-2-(4-chlorophenyl)-3,5-diphenyl-4-(trifluoromethylsulfonyl)-2,3-dihydrofuran.

Molecular Properties

Compound Name(2R,3S)-2-(4-chlorophenyl)-3,5-diphenyl-4-(trifluoromethylsulfonyl)-2,3-dihydrofuran
PubChem CID46910333
Molecular FormulaC23H16ClF3O3S
Molecular Weight464.89 g/mol
Exact Mass464.05
IUPAC Name(2R,3S)-2-(4-chlorophenyl)-3,5-diphenyl-4-(trifluoromethylsulfonyl)-2,3-dihydrofuran
SMILESO=S(=O)(C1=C(c2ccccc2)O[C@@H](c2ccc(Cl)cc2)[C@@H]1c1ccccc1)C(F)(F)F
InChIInChI=1S/C23H16ClF3O3S/c24-18-13-11-17(12-14-18)20-19(15-7-3-1-4-8-15)22(31(28,29)23(25,26)27)21(30-20)16-9-5-2-6-10-16/h1-14,19-20H/t19-,20-/m0/s1
InChIKeyQDWYNQPDUGBWNX-PMACEKPBSA-N
XLogP6.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.89
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(E)-2-(benzenesulfonyl)-1-(4-chlorophenyl)-3-ethoxy-4,4,4-trifluorobut-2-enyl] acetate
CID 10623946
(2S)-2beta-(4-Chlorophenyl)-3-[1-(trifluoromethylsulfonyloxy)ethylidene]-5beta-phenyltetrahydrofuran
CID 11858517
[(1E)-1-[(2S,6S)-2-(4-chlorophenyl)-6-phenyloxan-3-ylidene]ethyl] trifluoromethanesulfonate
CID 44192940
1-[2-(4-Chlorophenyl)-5-phenyloxolan-3-ylidene]ethyl trifluoromethanesulfonate
CID 73129103
1-[2-(4-Chlorophenyl)-6-phenyloxan-3-ylidene]ethyl trifluoromethanesulfonate
CID 74946849
(E)-(2-(4-chlorophenyl)-6-phenyl-dihydro-2H-pyran-3(4H)-ylidene)-ethyl trifluoromethanesulfonate
CID 86633525
[(1E)-1-[2-(4-chlorophenyl)-6-phenyloxan-3-ylidene]ethyl] trifluoromethanesulfonate
CID 87130976
[(1E)-1-[(2R,5R)-2-(4-chlorophenyl)-5-phenyloxolan-3-ylidene]ethyl] trifluoromethanesulfonate
CID 87763876
[(1Z)-1-[2-(4-chlorophenyl)-5-phenyloxolan-3-ylidene]ethyl] trifluoromethanesulfonate
CID 87763878
2-[2-(4-Chlorophenyl)-6-phenyloxan-3-ylidene]ethyl trifluoromethanesulfonate
CID 91080317
1-[(2S,5S)-2-(4-chlorophenyl)-5-phenyloxolan-3-ylidene]ethyl trifluoromethanesulfonate
CID 91091804
1-[(2S,6S)-2-(4-chlorophenyl)-6-phenyloxan-3-ylidene]ethyl trifluoromethanesulfonate
CID 91208471

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(4-chlorophenyl)-3,5-diphenyl-4-(trifluoromethylsulfonyl)-2,3-dihydrofuran?
The IUPAC name of (2R,3S)-2-(4-chlorophenyl)-3,5-diphenyl-4-(trifluoromethylsulfonyl)-2,3-dihydrofuran (CID 46910333) is (2R,3S)-2-(4-chlorophenyl)-3,5-diphenyl-4-(trifluoromethylsulfonyl)-2,3-dihydrofuran.
What is the SMILES notation for (2R,3S)-2-(4-chlorophenyl)-3,5-diphenyl-4-(trifluoromethylsulfonyl)-2,3-dihydrofuran?
The canonical SMILES for (2R,3S)-2-(4-chlorophenyl)-3,5-diphenyl-4-(trifluoromethylsulfonyl)-2,3-dihydrofuran is O=S(=O)(C1=C(c2ccccc2)O[C@@H](c2ccc(Cl)cc2)[C@@H]1c1ccccc1)C(F)(F)F.
What is the InChIKey of (2R,3S)-2-(4-chlorophenyl)-3,5-diphenyl-4-(trifluoromethylsulfonyl)-2,3-dihydrofuran?
The InChIKey is QDWYNQPDUGBWNX-PMACEKPBSA-N. The full InChI is InChI=1S/C23H16ClF3O3S/c24-18-13-11-17(12-14-18)20-19(15-7-3-1-4-8-15)22(31(28,29)23(25,26)27)21(30-20)16-9-5-2-6-10-16/h1-14,19-20H/t19-,20-/m0/s1.
What are the key properties of (2R,3S)-2-(4-chlorophenyl)-3,5-diphenyl-4-(trifluoromethylsulfonyl)-2,3-dihydrofuran?
(2R,3S)-2-(4-chlorophenyl)-3,5-diphenyl-4-(trifluoromethylsulfonyl)-2,3-dihydrofuran has a molecular weight of 464.89 g/mol, XLogP of 6.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(4-chlorophenyl)-3,5-diphenyl-4-(trifluoromethylsulfonyl)-2,3-dihydrofuran is sourced from PubChem (CID 46910333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).