3-Amino-2,2-difluoro-1-propanol - CAS 155310-11-5

Catalog:	BB011108
Product Name:	3-Amino-2,2-difluoro-1-propanol
CAS:	155310-11-5
Synonyms:	3-amino-2,2-difluoro-1-propanol; 3-amino-2,2-difluoropropan-1-ol

Technical Data

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Computed Properties

IUPAC Name:	3-amino-2,2-difluoropropan-1-ol
Description:	3-Amino-2,2-difluoro-1-propanol (CAS# 155310-11-5) is a reactant used in the synthesis of pyridopyrimidine based cannabinoid-1 receptor inverse agonists.
Molecular Weight:	111.09
Molecular Formula:	C3H7F2NO
Canonical SMILES:	C(C(CO)(F)F)N
InChI:	InChI=1S/C3H7F2NO/c4-3(5,1-6)2-7/h7H,1-2,6H2
InChI Key:	IUZGHWSIJQTEAD-UHFFFAOYSA-N
Appearance:	Low melting solid or clear liquid
LogP:	0.27300

Publication Number	Title	Priority Date
WO-2021173523-A1	Hot melt extruded solid dispersions containing a bcl2 inhibitor	20200224
WO-2021158481-A1	Substituted 1,1'-biphenyl compounds and methods using same	20200203
WO-2021066873-A1	Condensed heterocycles as bcl-2 inhibitors	20191003
WO-2021060395-A1	Sustained-release pharmaceutical composition	20190925
WO-2020113233-A1	Irak degraders and uses thereof	20181130

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	56.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	111.04957017
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	111.04957017
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7