1-Boc-3,3-difluoropiperidin-4-ol - CAS 1209780-71-1

Catalog:	BB005005
Product Name:	1-Boc-3,3-difluoropiperidin-4-ol
CAS:	1209780-71-1
Synonyms:	3,3-difluoro-4-hydroxy-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate
Description:	1-Boc-3,3-difluoropiperidin-4-ol (CAS# 1209780-71-1) is a useful research chemical.
Molecular Weight:	237.24
Molecular Formula:	C10H17F2NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(C(C1)(F)F)O
InChI:	InChI=1S/C10H17F2NO3/c1-9(2,3)16-8(15)13-5-4-7(14)10(11,12)6-13/h7,14H,4-6H2,1-3H3
InChI Key:	GISYXRBCSOIMTM-UHFFFAOYSA-N
MDL:	MFCD16250751
LogP:	1.56130

Publication Number	Title	Priority Date
CN-111233750-A	3, 3-difluoro-1, 2,3, 6-tetrahydropyridine derivatives and preparation method thereof	20200304
US-2021284670-A1	Antiviral compounds	20200218
WO-2021167882-A1	Antiviral compounds	20200218
WO-2021168038-A1	Antiviral compounds	20200218
WO-2021133809-A1	Inhibitors of mutant forms of egfr	20191223

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	276
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	237.11764973
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	237.11764973
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.8 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3