1-[(Z)-1-(benzenesulfinyl)-3,3,3-trifluoroprop-1-en-2-yl]-4-chlorobenzene

C15H10ClF3OS — CID 118271061

IUPAC1-[(Z)-1-(benzenesulfinyl)-3,3,3-trifluoroprop-1-en-2-yl]-4-chlorobenzene
SMILESO=S(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H10ClF3OS/c16-12-8-6-11(7-9-12)14(15(17,18)19)10-21(20)13-4-2-1-3-5-13/h1-10H/b14-10-
InChIKeyJIMCCFXLWGIUFW-UVTDQMKNSA-N
MW330.76 g/mol
LogP5.05
Rot. Bonds3

About 1-[(Z)-1-(benzenesulfinyl)-3,3,3-trifluoroprop-1-en-2-yl]-4-chlorobenzene

1-[(Z)-1-(benzenesulfinyl)-3,3,3-trifluoroprop-1-en-2-yl]-4-chlorobenzene (PubChem CID 118271061) has the molecular formula C15H10ClF3OS and a molecular weight of 330.76 g/mol. Its IUPAC name is 1-[(Z)-1-(benzenesulfinyl)-3,3,3-trifluoroprop-1-en-2-yl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[(Z)-1-(benzenesulfinyl)-3,3,3-trifluoroprop-1-en-2-yl]-4-chlorobenzene
PubChem CID118271061
Molecular FormulaC15H10ClF3OS
Molecular Weight330.76 g/mol
Exact Mass330.01
IUPAC Name1-[(Z)-1-(benzenesulfinyl)-3,3,3-trifluoroprop-1-en-2-yl]-4-chlorobenzene
SMILESO=S(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H10ClF3OS/c16-12-8-6-11(7-9-12)14(15(17,18)19)10-21(20)13-4-2-1-3-5-13/h1-10H/b14-10-
InChIKeyJIMCCFXLWGIUFW-UVTDQMKNSA-N
XLogP5.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.76
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-(benzenesulfinyl)-3,3,3-trifluoroprop-1-en-2-yl]-4-chlorobenzene?
The IUPAC name of 1-[(Z)-1-(benzenesulfinyl)-3,3,3-trifluoroprop-1-en-2-yl]-4-chlorobenzene (CID 118271061) is 1-[(Z)-1-(benzenesulfinyl)-3,3,3-trifluoroprop-1-en-2-yl]-4-chlorobenzene.
What is the SMILES notation for 1-[(Z)-1-(benzenesulfinyl)-3,3,3-trifluoroprop-1-en-2-yl]-4-chlorobenzene?
The canonical SMILES for 1-[(Z)-1-(benzenesulfinyl)-3,3,3-trifluoroprop-1-en-2-yl]-4-chlorobenzene is O=S(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)c1ccccc1.
What is the InChIKey of 1-[(Z)-1-(benzenesulfinyl)-3,3,3-trifluoroprop-1-en-2-yl]-4-chlorobenzene?
The InChIKey is JIMCCFXLWGIUFW-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H10ClF3OS/c16-12-8-6-11(7-9-12)14(15(17,18)19)10-21(20)13-4-2-1-3-5-13/h1-10H/b14-10-.
What are the key properties of 1-[(Z)-1-(benzenesulfinyl)-3,3,3-trifluoroprop-1-en-2-yl]-4-chlorobenzene?
1-[(Z)-1-(benzenesulfinyl)-3,3,3-trifluoroprop-1-en-2-yl]-4-chlorobenzene has a molecular weight of 330.76 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-(benzenesulfinyl)-3,3,3-trifluoroprop-1-en-2-yl]-4-chlorobenzene is sourced from PubChem (CID 118271061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).