3-Cyclohexyl-1,1,1-trifluoro-2-propanone - CAS 457-49-8

Catalog:	BB025975
Product Name:	3-Cyclohexyl-1,1,1-trifluoro-2-propanone
CAS:	457-49-8
Synonyms:	3-cyclohexyl-1,1,1-trifluoro-2-propanone; 3-cyclohexyl-1,1,1-trifluoropropan-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	3-cyclohexyl-1,1,1-trifluoropropan-2-one
Description:	3-Cyclohexyl-1,1,1-trifluoro-2-propanone (CAS# 457-49-8 ) is a useful research chemical.
Molecular Weight:	194.19
Molecular Formula:	C9H13F3O
Canonical SMILES:	C1CCC(CC1)CC(=O)C(F)(F)F
InChI:	InChI=1S/C9H13F3O/c10-9(11,12)8(13)6-7-4-2-1-3-5-7/h7H,1-6H2
InChI Key:	KHUKBKZRTMEANV-UHFFFAOYSA-N
Boiling Point:	189.3 °C at 760 mmHg
Density:	1.115 g/cm³
MDL:	MFCD02260830
LogP:	3.08820

Publication Number	Title	Priority Date
US-2006293330-A1	Hiv replication inhibiting purine derivatives	20030925
JP-2011042661-A	Method for producing optically active fluorinated alcohols, method for producing optically active fluorinated 2-hydroxyalkaneamides and / or optically active fluorinated alcohols, and method for producing optically active fluorinated lactic acid or derivatives thereof	20000621
JP-4674393-B2	Process for producing optically active fluorine-containing Î²-hydroxy ester	20000621
JP-5392217-B2	Method for producing optically active fluorinated alcohols, method for producing optically active fluorinated 2-hydroxyalkaneamides and / or optically active fluorinated alcohols, and method for producing optically active fluorinated lactic acid or derivatives thereof	20000621

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Complexity:	180
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.09184952
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	194.09184952
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7