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3-(Trifluoromethyl)pyrrolidine-3-carboxylic Acid

3-(Trifluoromethyl)pyrrolidine-3-carboxylic Acid - CAS 916423-57-9

Catalog:	BB040298
Product Name:	3-(Trifluoromethyl)pyrrolidine-3-carboxylic Acid
CAS:	916423-57-9
Synonyms:	3-(trifluoromethyl)-3-pyrrolidinecarboxylic acid; 3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
Description:	3-(Trifluoromethyl)pyrrolidine-3-carboxylic Acid (CAS# 916423-57-9 ) is a useful research chemical.
Molecular Weight:	183.13
Molecular Formula:	C6H8F3NO2
Canonical SMILES:	C1CNCC1(C(=O)O)C(F)(F)F
InChI:	InChI=1S/C6H8F3NO2/c7-6(8,9)5(4(11)12)1-2-10-3-5/h10H,1-3H2,(H,11,12)
InChI Key:	VEUBBZBEISLEIY-UHFFFAOYSA-N
LogP:	0.94180

Publication Number	Title	Priority Date
EP-3464278-A1	Xanthone derivatives for the treatment and prophylaxis of hepatitis b virus disease	20160526
JP-2019520334-A	Xanthone derivatives for the treatment and prevention of hepatitis B virus disease	20160526
US-10611748-B2	Xanthone derivatives for the treatment of hepatitis B virus disease	20160526
US-2019185444-A1	Xanthone derivatives for the treatment and prophylaxis of hepatitis b virus disease	20160526
WO-2017202798-A1	Xanthone derivatives for the treatment and prophylaxis of hepatitis b virus disease	20160526

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[1035840-45-9]
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[253429-30-0]
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	204
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.05071298
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	183.05071298
Rotatable Bond Count:	1
Topological Polar Surface Area:	49.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.9