1-[3-(4-fluorophenyl)-3-[1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]sulfonylprop-1-enyl]-3-(trifluoromethyl)benzene

C32H22F8O2S — CID 173033091

IUPAC1-[3-(4-fluorophenyl)-3-[1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]sulfonylprop-1-enyl]-3-(trifluoromethyl)benzene
SMILESO=S(=O)(C(C=Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1)C(C=Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1
InChIInChI=1S/C32H22F8O2S/c33-27-13-9-23(10-14-27)29(17-7-21-3-1-5-25(19-21)31(35,36)37)43(41,42)30(24-11-15-28(34)16-12-24)18-8-22-4-2-6-26(20-22)32(38,39)40/h1-20,29-30H
InChIKeyJYJXRUYMODJQLI-UHFFFAOYSA-N
MW622.58 g/mol
LogP9.63
Rot. Bonds8

About 1-[3-(4-fluorophenyl)-3-[1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]sulfonylprop-1-enyl]-3-(trifluoromethyl)benzene

1-[3-(4-fluorophenyl)-3-[1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]sulfonylprop-1-enyl]-3-(trifluoromethyl)benzene (PubChem CID 173033091) has the molecular formula C32H22F8O2S and a molecular weight of 622.58 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-3-[1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]sulfonylprop-1-enyl]-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-3-[1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]sulfonylprop-1-enyl]-3-(trifluoromethyl)benzene
PubChem CID173033091
Molecular FormulaC32H22F8O2S
Molecular Weight622.58 g/mol
Exact Mass622.12
IUPAC Name1-[3-(4-fluorophenyl)-3-[1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]sulfonylprop-1-enyl]-3-(trifluoromethyl)benzene
SMILESO=S(=O)(C(C=Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1)C(C=Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1
InChIInChI=1S/C32H22F8O2S/c33-27-13-9-23(10-14-27)29(17-7-21-3-1-5-25(19-21)31(35,36)37)43(41,42)30(24-11-15-28(34)16-12-24)18-8-22-4-2-6-26(20-22)32(38,39)40/h1-20,29-30H
InChIKeyJYJXRUYMODJQLI-UHFFFAOYSA-N
XLogP9.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.58
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-4-[(E)-3-[(E)-3-(4-fluorophenyl)-1-(4-iodophenyl)prop-2-enyl]sulfonyl-3-(4-iodophenyl)prop-1-enyl]benzene
CID 87903581
1-chloro-4-[(E)-3-[(E)-3-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]sulfonyl-3-[4-(trifluoromethyl)phenyl]prop-1-enyl]benzene
CID 87210953
2-chloro-1-[(E)-3-[(E)-3-(2-chloro-4-fluorophenyl)-1-(4-fluorophenyl)prop-2-enyl]sulfonyl-3-(4-fluorophenyl)prop-1-enyl]-4-fluorobenzene
CID 87962814
3-fluoro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122476262
4-[(E)-1-[(E)-1-(4-cyanophenyl)-3-(4-fluorophenyl)prop-2-enyl]sulfonyl-3-(4-fluorophenyl)prop-2-enyl]benzonitrile
CID 87211067
3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122476067
1-[2-(3-fluorophenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene
CID 175767255
(E,3R)-5-[3-(trifluoromethyl)phenyl]pent-4-ene-1,3-diol
CID 130467338
(Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one
CID 23274083
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 18286971
(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl chloride
CID 5375564
3-[3-(trifluoromethyl)phenyl]prop-2-enyl methanesulfonate
CID 91411558

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-3-[1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]sulfonylprop-1-enyl]-3-(trifluoromethyl)benzene?
The IUPAC name of 1-[3-(4-fluorophenyl)-3-[1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]sulfonylprop-1-enyl]-3-(trifluoromethyl)benzene (CID 173033091) is 1-[3-(4-fluorophenyl)-3-[1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]sulfonylprop-1-enyl]-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-3-[1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]sulfonylprop-1-enyl]-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-[3-(4-fluorophenyl)-3-[1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]sulfonylprop-1-enyl]-3-(trifluoromethyl)benzene is O=S(=O)(C(C=Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1)C(C=Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-3-[1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]sulfonylprop-1-enyl]-3-(trifluoromethyl)benzene?
The InChIKey is JYJXRUYMODJQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22F8O2S/c33-27-13-9-23(10-14-27)29(17-7-21-3-1-5-25(19-21)31(35,36)37)43(41,42)30(24-11-15-28(34)16-12-24)18-8-22-4-2-6-26(20-22)32(38,39)40/h1-20,29-30H.
What are the key properties of 1-[3-(4-fluorophenyl)-3-[1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]sulfonylprop-1-enyl]-3-(trifluoromethyl)benzene?
1-[3-(4-fluorophenyl)-3-[1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]sulfonylprop-1-enyl]-3-(trifluoromethyl)benzene has a molecular weight of 622.58 g/mol, XLogP of 9.63, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-3-[1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]sulfonylprop-1-enyl]-3-(trifluoromethyl)benzene is sourced from PubChem (CID 173033091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).