N-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-2,2,2-trifluoroacetamide

C8H10F3NO — CID 131101660

IUPACN-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-2,2,2-trifluoroacetamide
SMILESO=C(NC1[C@H]2CCC[C@@H]12)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c9-8(10,11)7(13)12-6-4-2-1-3-5(4)6/h4-6H,1-3H2,(H,12,13)/t4-,5+,6?
InChIKeyPJBVGIIUHOTADM-XEAPYIEGSA-N
MW193.17 g/mol
LogP1.46
Rot. Bonds1

About N-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-2,2,2-trifluoroacetamide

N-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-2,2,2-trifluoroacetamide (PubChem CID 131101660) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is N-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-2,2,2-trifluoroacetamide
PubChem CID131101660
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC NameN-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-2,2,2-trifluoroacetamide
SMILESO=C(NC1[C@H]2CCC[C@@H]12)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c9-8(10,11)7(13)12-6-4-2-1-3-5(4)6/h4-6H,1-3H2,(H,12,13)/t4-,5+,6?
InChIKeyPJBVGIIUHOTADM-XEAPYIEGSA-N
XLogP1.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-2,2,2-trifluoroacetamide (CID 131101660) is N-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-2,2,2-trifluoroacetamide is O=C(NC1[C@H]2CCC[C@@H]12)C(F)(F)F.
What is the InChIKey of N-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-2,2,2-trifluoroacetamide?
The InChIKey is PJBVGIIUHOTADM-XEAPYIEGSA-N. The full InChI is InChI=1S/C8H10F3NO/c9-8(10,11)7(13)12-6-4-2-1-3-5(4)6/h4-6H,1-3H2,(H,12,13)/t4-,5+,6?.
What are the key properties of N-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-2,2,2-trifluoroacetamide?
N-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-2,2,2-trifluoroacetamide has a molecular weight of 193.17 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 131101660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).