HZH

1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one

Created:	2008-06-11
Last modified:	2020-06-05

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1 entries where HZH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	6

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Chemical Component Summary
Name	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one
Synonyms	3-phenethylthio-1,1,1-trifluoropropan-2-one, PETFP
Systematic Name (OpenEye OEToolkits)	1,1,1-trifluoro-3-phenethylsulfanyl-propan-2-one
Formula	C₁₁ H₁₁ F₃ O S
Molecular Weight	248.265
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	FC(F)(F)C(=O)CSCCc1ccccc1
SMILES	CACTVS	3.341	FC(F)(F)C(=O)CSCCc1ccccc1
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CCSCC(=O)C(F)(F)F
Canonical SMILES	CACTVS	3.341	FC(F)(F)C(=O)CSCCc1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CCSCC(=O)C(F)(F)F
InChI	InChI	1.03	InChI=1S/C11H11F3OS/c12-11(13,14)10(15)8-16-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey	InChI	1.03	UJAGOKUXPHIFEB-UHFFFAOYSA-N