1-chloro-4-[(Z)-3,3,3-trifluoro-1-phenylsulfanylprop-1-en-2-yl]benzene

C15H10ClF3S — CID 118271249

IUPAC1-chloro-4-[(Z)-3,3,3-trifluoro-1-phenylsulfanylprop-1-en-2-yl]benzene
SMILESFC(F)(F)/C(=C\Sc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClF3S/c16-12-8-6-11(7-9-12)14(15(17,18)19)10-20-13-4-2-1-3-5-13/h1-10H/b14-10-
InChIKeyQJSOJSBOUQZTDU-UVTDQMKNSA-N
MW314.76 g/mol
LogP6.04
Rot. Bonds3

About 1-chloro-4-[(Z)-3,3,3-trifluoro-1-phenylsulfanylprop-1-en-2-yl]benzene

1-chloro-4-[(Z)-3,3,3-trifluoro-1-phenylsulfanylprop-1-en-2-yl]benzene (PubChem CID 118271249) has the molecular formula C15H10ClF3S and a molecular weight of 314.76 g/mol. Its IUPAC name is 1-chloro-4-[(Z)-3,3,3-trifluoro-1-phenylsulfanylprop-1-en-2-yl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(Z)-3,3,3-trifluoro-1-phenylsulfanylprop-1-en-2-yl]benzene
PubChem CID118271249
Molecular FormulaC15H10ClF3S
Molecular Weight314.76 g/mol
Exact Mass314.01
IUPAC Name1-chloro-4-[(Z)-3,3,3-trifluoro-1-phenylsulfanylprop-1-en-2-yl]benzene
SMILESFC(F)(F)/C(=C\Sc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClF3S/c16-12-8-6-11(7-9-12)14(15(17,18)19)10-20-13-4-2-1-3-5-13/h1-10H/b14-10-
InChIKeyQJSOJSBOUQZTDU-UVTDQMKNSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.76
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(Z)-3,3,3-trifluoro-1-phenylsulfanylprop-1-en-2-yl]benzene?
The IUPAC name of 1-chloro-4-[(Z)-3,3,3-trifluoro-1-phenylsulfanylprop-1-en-2-yl]benzene (CID 118271249) is 1-chloro-4-[(Z)-3,3,3-trifluoro-1-phenylsulfanylprop-1-en-2-yl]benzene.
What is the SMILES notation for 1-chloro-4-[(Z)-3,3,3-trifluoro-1-phenylsulfanylprop-1-en-2-yl]benzene?
The canonical SMILES for 1-chloro-4-[(Z)-3,3,3-trifluoro-1-phenylsulfanylprop-1-en-2-yl]benzene is FC(F)(F)/C(=C\Sc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(Z)-3,3,3-trifluoro-1-phenylsulfanylprop-1-en-2-yl]benzene?
The InChIKey is QJSOJSBOUQZTDU-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H10ClF3S/c16-12-8-6-11(7-9-12)14(15(17,18)19)10-20-13-4-2-1-3-5-13/h1-10H/b14-10-.
What are the key properties of 1-chloro-4-[(Z)-3,3,3-trifluoro-1-phenylsulfanylprop-1-en-2-yl]benzene?
1-chloro-4-[(Z)-3,3,3-trifluoro-1-phenylsulfanylprop-1-en-2-yl]benzene has a molecular weight of 314.76 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(Z)-3,3,3-trifluoro-1-phenylsulfanylprop-1-en-2-yl]benzene is sourced from PubChem (CID 118271249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).