(2S)-6,6-difluoro-3-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane

C11H19F2NO — CID 170389758

IUPAC(2S)-6,6-difluoro-3-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane
SMILESCN1CC2C([C@H]1COC(C)(C)C)C2(F)F
InChIInChI=1S/C11H19F2NO/c1-10(2,3)15-6-8-9-7(5-14(8)4)11(9,12)13/h7-9H,5-6H2,1-4H3/t7?,8-,9?/m1/s1
InChIKeyWHWGGSOSHPQGJO-QJAFJHJLSA-N
MW219.27 g/mol
LogP2.00
Rot. Bonds2

About (2S)-6,6-difluoro-3-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane

(2S)-6,6-difluoro-3-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 170389758) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is (2S)-6,6-difluoro-3-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(2S)-6,6-difluoro-3-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane
PubChem CID170389758
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name(2S)-6,6-difluoro-3-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane
SMILESCN1CC2C([C@H]1COC(C)(C)C)C2(F)F
InChIInChI=1S/C11H19F2NO/c1-10(2,3)15-6-8-9-7(5-14(8)4)11(9,12)13/h7-9H,5-6H2,1-4H3/t7?,8-,9?/m1/s1
InChIKeyWHWGGSOSHPQGJO-QJAFJHJLSA-N
XLogP2.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-6,6-difluoro-3-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane with MolForge

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Related Compounds

6-Methyl-8-(2,2,2-trifluoroethyl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 117608592
(6R)-6-methyl-8-(1,1,2,2,2-pentafluoroethyl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 117814009
(6R)-6-methyl-8-(2,2,2-trifluoroethyl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 117814010
6-Methyl-8-(1,1,2,2,2-pentafluoroethyl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 118302712
(1S,3R,5S)-2-(2,2-difluoroethyl)-3-[(2-methylpropan-2-yl)oxymethyl]-2-azabicyclo[3.1.0]hexane
CID 140929478
4,4-Difluoro-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine
CID 155794389
(1R,5S)-3-(2,2-difluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane
CID 156299284
(1S,5R)-3-(difluoromethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane
CID 156299286
3-Propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 166951347
(2S)-6,6-difluoro-2-(methoxymethyl)-3-methyl-3-azabicyclo[3.1.0]hexane
CID 167162281
(1R,5S)-3-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 169016576
(5S)-3-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 170058706

Frequently Asked Questions

What is the IUPAC name of (2S)-6,6-difluoro-3-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (2S)-6,6-difluoro-3-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane (CID 170389758) is (2S)-6,6-difluoro-3-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (2S)-6,6-difluoro-3-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (2S)-6,6-difluoro-3-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane is CN1CC2C([C@H]1COC(C)(C)C)C2(F)F.
What is the InChIKey of (2S)-6,6-difluoro-3-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is WHWGGSOSHPQGJO-QJAFJHJLSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-10(2,3)15-6-8-9-7(5-14(8)4)11(9,12)13/h7-9H,5-6H2,1-4H3/t7?,8-,9?/m1/s1.
What are the key properties of (2S)-6,6-difluoro-3-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane?
(2S)-6,6-difluoro-3-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 219.27 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6,6-difluoro-3-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 170389758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).