[(2S)-6,6-difluoro-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol

C7H11F2NO — CID 167161977

IUPAC[(2S)-6,6-difluoro-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol
SMILESCN1CC2C([C@H]1CO)C2(F)F
InChIInChI=1S/C7H11F2NO/c1-10-2-4-6(5(10)3-11)7(4,8)9/h4-6,11H,2-3H2,1H3/t4?,5-,6?/m1/s1
InChIKeyZBAOBWIDFFYYSF-INWUZDNDSA-N
MW163.17 g/mol
LogP0.17
Rot. Bonds1

About [(2S)-6,6-difluoro-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol

[(2S)-6,6-difluoro-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol (PubChem CID 167161977) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is [(2S)-6,6-difluoro-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-6,6-difluoro-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol
PubChem CID167161977
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name[(2S)-6,6-difluoro-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol
SMILESCN1CC2C([C@H]1CO)C2(F)F
InChIInChI=1S/C7H11F2NO/c1-10-2-4-6(5(10)3-11)7(4,8)9/h4-6,11H,2-3H2,1H3/t4?,5-,6?/m1/s1
InChIKeyZBAOBWIDFFYYSF-INWUZDNDSA-N
XLogP0.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-6,6-difluoro-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol?
The IUPAC name of [(2S)-6,6-difluoro-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol (CID 167161977) is [(2S)-6,6-difluoro-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol.
What is the SMILES notation for [(2S)-6,6-difluoro-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol?
The canonical SMILES for [(2S)-6,6-difluoro-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol is CN1CC2C([C@H]1CO)C2(F)F.
What is the InChIKey of [(2S)-6,6-difluoro-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol?
The InChIKey is ZBAOBWIDFFYYSF-INWUZDNDSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-10-2-4-6(5(10)3-11)7(4,8)9/h4-6,11H,2-3H2,1H3/t4?,5-,6?/m1/s1.
What are the key properties of [(2S)-6,6-difluoro-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol?
[(2S)-6,6-difluoro-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol has a molecular weight of 163.17 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-6,6-difluoro-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol is sourced from PubChem (CID 167161977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).