N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide

C10H15F3N2O — CID 138011835

IUPACN-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide
SMILESCCC(=O)NC[C@@]12CNC[C@]1(C(F)(F)F)C2
InChIInChI=1S/C10H15F3N2O/c1-2-7(16)15-5-8-3-9(8,6-14-4-8)10(11,12)13/h14H,2-6H2,1H3,(H,15,16)/t8-,9-/m1/s1
InChIKeyOWGIHOHGOBMSSE-RKDXNWHRSA-N
MW236.24 g/mol
LogP1.05
Rot. Bonds3

About N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide

N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide (PubChem CID 138011835) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide
PubChem CID138011835
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC NameN-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide
SMILESCCC(=O)NC[C@@]12CNC[C@]1(C(F)(F)F)C2
InChIInChI=1S/C10H15F3N2O/c1-2-7(16)15-5-8-3-9(8,6-14-4-8)10(11,12)13/h14H,2-6H2,1H3,(H,15,16)/t8-,9-/m1/s1
InChIKeyOWGIHOHGOBMSSE-RKDXNWHRSA-N
XLogP1.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide?
The IUPAC name of N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide (CID 138011835) is N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide.
What is the SMILES notation for N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide?
The canonical SMILES for N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide is CCC(=O)NC[C@@]12CNC[C@]1(C(F)(F)F)C2.
What is the InChIKey of N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide?
The InChIKey is OWGIHOHGOBMSSE-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-2-7(16)15-5-8-3-9(8,6-14-4-8)10(11,12)13/h14H,2-6H2,1H3,(H,15,16)/t8-,9-/m1/s1.
What are the key properties of N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide?
N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide has a molecular weight of 236.24 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide is sourced from PubChem (CID 138011835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).