[2,4-bis(trifluoromethyl)phenyl]-[(1S,5R,6S)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone

C15H13F6NO2 — CID 137335033

IUPAC[2,4-bis(trifluoromethyl)phenyl]-[(1S,5R,6S)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1C(F)(F)F)N1C[C@H]2C[C@H](O)[C@H]2C1
InChIInChI=1S/C15H13F6NO2/c16-14(17,18)8-1-2-9(11(4-8)15(19,20)21)13(24)22-5-7-3-12(23)10(7)6-22/h1-2,4,7,10,12,23H,3,5-6H2/t7-,10+,12+/m1/s1
InChIKeyLVPHERQBXVJFAV-VHRDEZTHSA-N
MW353.26 g/mol
LogP3.18
Rot. Bonds1

About [2,4-bis(trifluoromethyl)phenyl]-[(1S,5R,6S)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone

[2,4-bis(trifluoromethyl)phenyl]-[(1S,5R,6S)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone (PubChem CID 137335033) has the molecular formula C15H13F6NO2 and a molecular weight of 353.26 g/mol. Its IUPAC name is [2,4-bis(trifluoromethyl)phenyl]-[(1S,5R,6S)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone.

Molecular Properties

Compound Name[2,4-bis(trifluoromethyl)phenyl]-[(1S,5R,6S)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone
PubChem CID137335033
Molecular FormulaC15H13F6NO2
Molecular Weight353.26 g/mol
Exact Mass353.09
IUPAC Name[2,4-bis(trifluoromethyl)phenyl]-[(1S,5R,6S)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1C(F)(F)F)N1C[C@H]2C[C@H](O)[C@H]2C1
InChIInChI=1S/C15H13F6NO2/c16-14(17,18)8-1-2-9(11(4-8)15(19,20)21)13(24)22-5-7-3-12(23)10(7)6-22/h1-2,4,7,10,12,23H,3,5-6H2/t7-,10+,12+/m1/s1
InChIKeyLVPHERQBXVJFAV-VHRDEZTHSA-N
XLogP3.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2,4-bis(trifluoromethyl)phenyl]-[(1S,5R,6S)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone 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 [2,4-bis(trifluoromethyl)phenyl]-[(1S,5R,6S)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone?
The IUPAC name of [2,4-bis(trifluoromethyl)phenyl]-[(1S,5R,6S)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone (CID 137335033) is [2,4-bis(trifluoromethyl)phenyl]-[(1S,5R,6S)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone.
What is the SMILES notation for [2,4-bis(trifluoromethyl)phenyl]-[(1S,5R,6S)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone?
The canonical SMILES for [2,4-bis(trifluoromethyl)phenyl]-[(1S,5R,6S)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone is O=C(c1ccc(C(F)(F)F)cc1C(F)(F)F)N1C[C@H]2C[C@H](O)[C@H]2C1.
What is the InChIKey of [2,4-bis(trifluoromethyl)phenyl]-[(1S,5R,6S)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone?
The InChIKey is LVPHERQBXVJFAV-VHRDEZTHSA-N. The full InChI is InChI=1S/C15H13F6NO2/c16-14(17,18)8-1-2-9(11(4-8)15(19,20)21)13(24)22-5-7-3-12(23)10(7)6-22/h1-2,4,7,10,12,23H,3,5-6H2/t7-,10+,12+/m1/s1.
What are the key properties of [2,4-bis(trifluoromethyl)phenyl]-[(1S,5R,6S)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone?
[2,4-bis(trifluoromethyl)phenyl]-[(1S,5R,6S)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone has a molecular weight of 353.26 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(trifluoromethyl)phenyl]-[(1S,5R,6S)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone is sourced from PubChem (CID 137335033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).