(2,2-difluoro-5-methyl-5-azaspiro[2.3]hexan-6-yl)methanol;ethane

C9H17F2NO — CID 170594826

IUPAC(2,2-difluoro-5-methyl-5-azaspiro[2.3]hexan-6-yl)methanol;ethane
SMILESCC.CN1CC2(CC2(F)F)C1CO
InChIInChI=1S/C7H11F2NO.C2H6/c1-10-4-6(5(10)2-11)3-7(6,8)9;1-2/h5,11H,2-4H2,1H3;1-2H3
InChIKeyLRCAYUBNHGLYKM-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.34
Rot. Bonds1

About (2,2-difluoro-5-methyl-5-azaspiro[2.3]hexan-6-yl)methanol;ethane

(2,2-difluoro-5-methyl-5-azaspiro[2.3]hexan-6-yl)methanol;ethane (PubChem CID 170594826) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is (2,2-difluoro-5-methyl-5-azaspiro[2.3]hexan-6-yl)methanol;ethane.

Molecular Properties

Compound Name(2,2-difluoro-5-methyl-5-azaspiro[2.3]hexan-6-yl)methanol;ethane
PubChem CID170594826
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name(2,2-difluoro-5-methyl-5-azaspiro[2.3]hexan-6-yl)methanol;ethane
SMILESCC.CN1CC2(CC2(F)F)C1CO
InChIInChI=1S/C7H11F2NO.C2H6/c1-10-4-6(5(10)2-11)3-7(6,8)9;1-2/h5,11H,2-4H2,1H3;1-2H3
InChIKeyLRCAYUBNHGLYKM-UHFFFAOYSA-N
XLogP1.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-difluoro-1-methylpyrrolidin-2-yl)methanol;tungsten
CID 170766869
5-(hydroxymethyl)-1-methylpyrrolidine-3,3-diol
CID 57027107
(5-methyl-5-azaspiro[2.3]hexan-2-yl)methanol
CID 84647955
[(2R)-4,4-difluoro-1-methylpiperidin-2-yl]methanol
CID 146250684
1-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 147076228
[(1S)-2,2-difluoro-1-methylcyclopropyl]methanol
CID 92980110
2,2-difluoro-5-methyl-5-azaspiro[2.3]hexane
CID 129180153
(1-benzyl-4,4-difluoro-3,3-dimethylpyrrolidin-2-yl)methanol
CID 11843239
(2-methyl-2-azabicyclo[2.1.1]hexan-4-yl)methanol
CID 177009446
2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 121204065
1-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 58790405
tert-butyl (2S)-4-fluoro-4-(fluoromethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 155904404

Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-5-methyl-5-azaspiro[2.3]hexan-6-yl)methanol;ethane?
The IUPAC name of (2,2-difluoro-5-methyl-5-azaspiro[2.3]hexan-6-yl)methanol;ethane (CID 170594826) is (2,2-difluoro-5-methyl-5-azaspiro[2.3]hexan-6-yl)methanol;ethane.
What is the SMILES notation for (2,2-difluoro-5-methyl-5-azaspiro[2.3]hexan-6-yl)methanol;ethane?
The canonical SMILES for (2,2-difluoro-5-methyl-5-azaspiro[2.3]hexan-6-yl)methanol;ethane is CC.CN1CC2(CC2(F)F)C1CO.
What is the InChIKey of (2,2-difluoro-5-methyl-5-azaspiro[2.3]hexan-6-yl)methanol;ethane?
The InChIKey is LRCAYUBNHGLYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO.C2H6/c1-10-4-6(5(10)2-11)3-7(6,8)9;1-2/h5,11H,2-4H2,1H3;1-2H3.
What are the key properties of (2,2-difluoro-5-methyl-5-azaspiro[2.3]hexan-6-yl)methanol;ethane?
(2,2-difluoro-5-methyl-5-azaspiro[2.3]hexan-6-yl)methanol;ethane has a molecular weight of 193.24 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-5-methyl-5-azaspiro[2.3]hexan-6-yl)methanol;ethane is sourced from PubChem (CID 170594826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).