1,1-Difluoro-4-isocyanocyclohexane - CAS 1000698-98-5

Catalog:	BB000059
Product Name:	1,1-Difluoro-4-isocyanocyclohexane
CAS:	1000698-98-5
Synonyms:	1,1-difluoro-4-isocyanocyclohexane; 1,1-difluoro-4-isocyanocyclohexane

Technical Data

Patents

Computed Properties

IUPAC Name:	1,1-difluoro-4-isocyanocyclohexane
Description:	1,1-Difluoro-4-isocyanocyclohexane (CAS# 1000698-98-5) is a useful research chemical.
Molecular Weight:	145.15
Molecular Formula:	C7H9F2N
Canonical SMILES:	[C-]#[N+]C1CCC(CC1)(F)F
InChI:	InChI=1S/C7H9F2N/c1-10-6-2-4-7(8,9)5-3-6/h6H,2-5H2
InChI Key:	DCLSKEZWHCFPKU-UHFFFAOYSA-N
LogP:	1.71430

Publication Number	Title	Priority Date
WO-2021212039-A1	Inhibitors of cysteine proteases and methods of use thereof	20200417
AU-2017239318-A1	Sultam compound and application method thereof	20160322
CA-3018649-A1	Sultam compound and application method thereof	20160322
EP-3434671-A1	Sultam compound and application method thereof	20160322
TW-201736354-A	Endosulfonamide compound and method of use thereof	20160322

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Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.07030562
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	145.07030562
Rotatable Bond Count:	0
Topological Polar Surface Area:	4.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8