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[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol

[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol - CAS 1408057-44-2

Catalog:	BB054707
Product Name:	[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol
CAS:	1408057-44-2
Synonyms:	(S)-(4,4-difluoro-1-methylpyrrolidin-2-yl)methanol; (S)-2-(Hydroxymethyl)-1-methyl-4,4-difluoropyrrolidine; ((2s)-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol

Technical Data

Computed Properties

IUPAC Name:	[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol
Molecular Weight:	151.15
Molecular Formula:	C6H11F2NO
Canonical SMILES:	CN1CC(CC1CO)(F)F
InChI:	InChI=1S/C6H11F2NO/c1-9-4-6(7,8)2-5(9)3-10/h5,10H,2-4H2,1H3/t5-/m0/s1
InChI Key:	XTBIVKQOFIPRQX-YFKPBYRVSA-N
Boiling Point:	170.1±40.0 °C at 760 mmHg
Density:	1.2±0.1 g/cm3

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Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	151.0808703
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	151.0808703
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4