2-(Trifluoromethyl)oxan-4-one - CAS 1803611-31-5

Catalog:	BB056976
Product Name:	2-(Trifluoromethyl)oxan-4-one
CAS:	1803611-31-5
Synonyms:	2-(trifluoromethyl)oxan-4-one

Technical Data

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Computed Properties

IUPAC Name:	2-(trifluoromethyl)oxan-4-one
Molecular Weight:	168.11
Molecular Formula:	C6H7O2F3
Canonical SMILES:	C1COC(CC1=O)C(F)(F)F
InChI:	InChI=1S/C6H7F3O2/c7-6(8,9)5-3-4(10)1-2-11-5/h5H,1-3H2
InChI Key:	OQLYSQBILYSDQN-UHFFFAOYSA-N

Publication Number	Title	Priority Date
AU-2016373530-A1	Compounds useful as kinase inhibitors	20151216
CA-3008488-A1	Compounds useful as kinase inhibitors	20151216
EA-035132-B1	COMPOUNDS THAT CAN BE USED AS KINASE INHIBITORS	20151216
EP-3390395-A1	Compounds useful as kinase inhibitors	20151216
KR-20180115261-A	Compound useful as a kinase inhibitor	20151216
US-10342780-B2	Compounds useful as kinase inhibitors	20151216
US-10464905-B2	Compounds useful as kinase inhibitors	20151216
US-10695323-B2	Compounds useful as kinase inhibitors	20151216
US-2018362512-A1	Compounds useful as kinase inhibitors	20151216
US-2019000806-A1	Compounds useful as kinase inhibitors	20151216

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GHS Hazard Statement:	H227 (100%): Combustible liquid [Warning Flammable liquids]
Precautionary Statement:	P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	164
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.03981395
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	168.03981395
Rotatable Bond Count:	0
Topological Polar Surface Area:	26.3Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7