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1-[4-(Trifluoromethoxy)phenyl]cyclobutanamine

1-[4-(Trifluoromethoxy)phenyl]cyclobutanamine - CAS 1314697-80-7

Catalog:	BB007372
Product Name:	1-[4-(Trifluoromethoxy)phenyl]cyclobutanamine
CAS:	1314697-80-7
Synonyms:	1-[4-(trifluoromethoxy)phenyl]-1-cyclobutanamine; 1-[4-(trifluoromethoxy)phenyl]cyclobutan-1-amine

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Computed Properties

IUPAC Name:	1-[4-(trifluoromethoxy)phenyl]cyclobutan-1-amine
Description:	1-[4-(Trifluoromethoxy)phenyl]cyclobutanamine (CAS# 1314697-80-7 ) is a useful research chemical.
Molecular Weight:	231.21
Molecular Formula:	C11H12F3NO
Canonical SMILES:	C1CC(C1)(C2=CC=C(C=C2)OC(F)(F)F)N
InChI:	InChI=1S/C11H12F3NO/c12-11(13,14)16-9-4-2-8(3-5-9)10(15)6-1-7-10/h2-5H,1,6-7,15H2
InChI Key:	JEJLXNLECOMLBX-UHFFFAOYSA-N
LogP:	3.62340

Publication Number	Title	Priority Date
WO-2017065473-A1	Oxadiazole amine derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same	20151012

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	242
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.08709849
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	231.08709849
Rotatable Bond Count:	2
Topological Polar Surface Area:	35.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7