N-[[(3S,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-2,2,2-trifluoroacetamide

C8H11F3N2O — CID 87261116

IUPACN-[[(3S,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NC[C@@H]1C[C@@H]2CC2N1)C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c9-8(10,11)7(14)12-3-5-1-4-2-6(4)13-5/h4-6,13H,1-3H2,(H,12,14)/t4-,5+,6?/m1/s1
InChIKeyUFPOAVVIBBJRLZ-XSYQQOMZSA-N
MW208.18 g/mol
LogP0.42
Rot. Bonds2

About N-[[(3S,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-2,2,2-trifluoroacetamide

N-[[(3S,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 87261116) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is N-[[(3S,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[(3S,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-2,2,2-trifluoroacetamide
PubChem CID87261116
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC NameN-[[(3S,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NC[C@@H]1C[C@@H]2CC2N1)C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c9-8(10,11)7(14)12-3-5-1-4-2-6(4)13-5/h4-6,13H,1-3H2,(H,12,14)/t4-,5+,6?/m1/s1
InChIKeyUFPOAVVIBBJRLZ-XSYQQOMZSA-N
XLogP0.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[(3S,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-2,2,2-trifluoroacetamide (CID 87261116) is N-[[(3S,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[(3S,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[(3S,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-2,2,2-trifluoroacetamide is O=C(NC[C@@H]1C[C@@H]2CC2N1)C(F)(F)F.
What is the InChIKey of N-[[(3S,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is UFPOAVVIBBJRLZ-XSYQQOMZSA-N. The full InChI is InChI=1S/C8H11F3N2O/c9-8(10,11)7(14)12-3-5-1-4-2-6(4)13-5/h4-6,13H,1-3H2,(H,12,14)/t4-,5+,6?/m1/s1.
What are the key properties of N-[[(3S,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-2,2,2-trifluoroacetamide?
N-[[(3S,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 208.18 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 87261116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).