N-Methyltrifluoroacetamide - CAS 815-06-5

Name: N-Methyltrifluoroacetamide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB036661
Product Name:	N-Methyltrifluoroacetamide
CAS:	815-06-5
Synonyms:	2,2,2-trifluoro-N-methylacetamide

Technical Data

IUPAC Name:	2,2,2-trifluoro-N-methylacetamide
Description:	N-Methyltrifluoroacetamide (CAS# 815-06-5) is a useful synthetic intermediate. It is used to prepare electrophilic 11β-aryl derivs. of estradiol as steroidal affinity labels of the estrogen receptor α. It is also used to synthesize amino substituted derivatives of 5'-amino-5'-deoxy-5'-noraristeromycin as antiviral agent.
Molecular Weight:	127.07
Molecular Formula:	C3H4F3NO
Canonical SMILES:	CNC(=O)C(F)(F)F
InChI:	InChI=1S/C3H4F3NO/c1-7-2(8)3(4,5)6/h1H3,(H,7,8)
InChI Key:	IQNHBUQSOSYAJU-UHFFFAOYSA-N
Boiling Point:	156-157 °C
Density:	1.265 g/cm³
Appearance:	White crystals or crystalline powder
MDL:	MFCD00009670
LogP:	0.68560

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

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Complexity:	97.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.02449824
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	127.02449824
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7