2,2,2-Trifluoro-1-phenylethylamine - CAS 51586-24-4

Catalog:	BB027505
Product Name:	2,2,2-Trifluoro-1-phenylethylamine
CAS:	51586-24-4
Synonyms:	2,2,2-trifluoro-1-phenylethanamine; 2,2,2-trifluoro-1-phenylethanamine

Technical Data

Patents

Computed Properties

IUPAC Name:	2,2,2-trifluoro-1-phenylethanamine
Description:	2,2,2-Trifluoro-1-phenylethylamine (CAS# 51586-24-4) is a useful research chemical.
Molecular Weight:	175.15
Molecular Formula:	C8H8F3N
Canonical SMILES:	C1=CC=C(C=C1)C(C(F)(F)F)N
InChI:	InChI=1S/C8H8F3N/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7H,12H2
InChI Key:	DZCAUMADOBDJJH-UHFFFAOYSA-N
Boiling Point:	196.418 °C at 760 mmHg
Density:	1.224 g/cm³
LogP:	2.94900

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Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.06088375
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.06088375
Rotatable Bond Count:	1
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9