N-(4-Hydroxymethylbenzyl)trifluoroacetamide - CAS 171723-95-8

Catalog:	BB054616
Product Name:	N-(4-Hydroxymethylbenzyl)trifluoroacetamide
CAS:	171723-95-8
Synonyms:	2,2,2-Trifluoro-N-[4-(hydroxymethyl)benzyl]acetamide

Technical Data

Computed Properties

IUPAC Name:	2,2,2-trifluoro-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
Molecular Weight:	233.19
Molecular Formula:	C10H10F3NO2
Canonical SMILES:	C1=CC(=CC=C1CNC(=O)C(F)(F)F)CO
InChI:	InChI=1S/C10H10F3NO2/c11-10(12,13)9(16)14-5-7-1-3-8(6-15)4-2-7/h1-4,15H,5-6H2,(H,14,16)
InChI Key:	BRPKWGMIAIWOJL-UHFFFAOYSA-N
Melting Point:	88-89°C
Purity:	95%
Solubility:	Soluble in Chloroform, Dimethyl Sulfoxide, Ethyl Acetate, Methanol
Appearance:	White Solid

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Carbonyl Compounds

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3-Fluoro-5-(trifluoromethyl)benzylamine
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Complexity:	235
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.06636305
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	233.06636305
Rotatable Bond Count:	3
Topological Polar Surface Area:	49.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3