1,1,1-Trifluoro-2-methyl-2-propylamine - CAS 812-18-0

Catalog:	BB036630
Product Name:	1,1,1-Trifluoro-2-methyl-2-propylamine
CAS:	812-18-0
Synonyms:	1,1,1-trifluoro-2-methyl-2-propanamine; 1,1,1-trifluoro-2-methylpropan-2-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	1,1,1-trifluoro-2-methylpropan-2-amine
Description:	1,1,1-Trifluoro-2-methyl-2-propylamine (CAS# 812-18-0) is a useful research chemical.
Molecular Weight:	127.11
Molecular Formula:	C4H8F3N
Canonical SMILES:	CC(C)(C(F)(F)F)N
InChI:	InChI=1S/C4H8F3N/c1-3(2,8)4(5,6)7/h8H2,1-2H3
InChI Key:	YFBWGBFWVFEGEZ-UHFFFAOYSA-N
Boiling Point:	81 °C at 760 mmHg
Density:	1.108 g/cm³
LogP:	1.98630

Publication Number	Title	Priority Date
WO-2021050992-A1	Usp30 inhibitors and uses thereof	20190911
US-2021032251-A1	Heterobicyclic amides as inhibitors of cd38	20190731
WO-2021021986-A1	Heterobicyclic amides as inhibitors of cd38	20190731
WO-2020216779-A1	Compounds comprising n-methyl-2-pyridone, and pharmaceutically acceptable salts	20190424
US-2019382373-A1	6-AMINOPYRIDIN-3-YL PYRAZOLES AS MODULATORS OF RORgT	20180618

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Related Functional Groups

Amines and Anilines

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Complexity:	83.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.06088375
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	127.06088375
Rotatable Bond Count:	0
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1