7-(Trifluoromethyl)chroman-4-one - CAS 111141-02-7

Catalog:	BB002723
Product Name:	7-(Trifluoromethyl)chroman-4-one
CAS:	111141-02-7
Synonyms:	7-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-4-one; 7-(trifluoromethyl)-2,3-dihydrochromen-4-one

Technical Data

Patents

Computed Properties

IUPAC Name:	7-(trifluoromethyl)-2,3-dihydrochromen-4-one
Description:	7-(Trifluoromethyl)chroman-4-one (CAS# 111141-02-7 ) is a useful research chemical.
Molecular Weight:	216.16
Molecular Formula:	C10H7F3O2
Canonical SMILES:	C1COC2=C(C1=O)C=CC(=C2)C(F)(F)F
InChI:	InChI=1S/C10H7F3O2/c11-10(12,13)6-1-2-7-8(14)3-4-15-9(7)5-6/h1-2,5H,3-4H2
InChI Key:	BDGGJAUEQDZWRC-UHFFFAOYSA-N
Boiling Point:	282.3 °C at 760 mmHg
Density:	1.374 g/cm³
LogP:	2.67060

Publication Number	Title	Priority Date
KR-20210039968-A	Bicyclic compound and use thereof	20191002
US-2021101892-A1	Bicyclic compound and use thereof	20191002
WO-2021066578-A1	Bicyclic compound and use thereof	20191002
US-11111237-B2	Bicyclic compound and use thereof	20191002
US-2013158067-A1	TRPV1 Antagonists	20111219

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Complexity:	262
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.03981395
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	216.03981395
Rotatable Bond Count:	0
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3