[(8R,9S,10R)-9-[4-(4-fluorophenyl)phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

C24H28F4N2O — CID 54668781

IUPAC[(8R,9S,10R)-9-[4-(4-fluorophenyl)phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
SMILESOC[C@H]1[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCCN12
InChIInChI=1S/C24H28F4N2O/c25-20-9-7-18(8-10-20)17-3-5-19(6-4-17)23-21-15-29(14-11-24(26,27)28)12-1-2-13-30(21)22(23)16-31/h3-10,21-23,31H,1-2,11-16H2/t21-,22-,23-/m0/s1
InChIKeyUJWYROFULXWHSG-VABKMULXSA-N
MW436.49 g/mol
LogP4.67
Rot. Bonds5

About [(8R,9S,10R)-9-[4-(4-fluorophenyl)phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

[(8R,9S,10R)-9-[4-(4-fluorophenyl)phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (PubChem CID 54668781) has the molecular formula C24H28F4N2O and a molecular weight of 436.49 g/mol. Its IUPAC name is [(8R,9S,10R)-9-[4-(4-fluorophenyl)phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol.

Molecular Properties

Compound Name[(8R,9S,10R)-9-[4-(4-fluorophenyl)phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
PubChem CID54668781
Molecular FormulaC24H28F4N2O
Molecular Weight436.49 g/mol
Exact Mass436.21
IUPAC Name[(8R,9S,10R)-9-[4-(4-fluorophenyl)phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
SMILESOC[C@H]1[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCCN12
InChIInChI=1S/C24H28F4N2O/c25-20-9-7-18(8-10-20)17-3-5-19(6-4-17)23-21-15-29(14-11-24(26,27)28)12-1-2-13-30(21)22(23)16-31/h3-10,21-23,31H,1-2,11-16H2/t21-,22-,23-/m0/s1
InChIKeyUJWYROFULXWHSG-VABKMULXSA-N
XLogP4.67
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(8R,9S,10R)-9-[4-(4-fluorophenyl)phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol 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 [(8R,9S,10R)-9-[4-(4-fluorophenyl)phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol?
The IUPAC name of [(8R,9S,10R)-9-[4-(4-fluorophenyl)phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CID 54668781) is [(8R,9S,10R)-9-[4-(4-fluorophenyl)phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol.
What is the SMILES notation for [(8R,9S,10R)-9-[4-(4-fluorophenyl)phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol?
The canonical SMILES for [(8R,9S,10R)-9-[4-(4-fluorophenyl)phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol is OC[C@H]1[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCCN12.
What is the InChIKey of [(8R,9S,10R)-9-[4-(4-fluorophenyl)phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol?
The InChIKey is UJWYROFULXWHSG-VABKMULXSA-N. The full InChI is InChI=1S/C24H28F4N2O/c25-20-9-7-18(8-10-20)17-3-5-19(6-4-17)23-21-15-29(14-11-24(26,27)28)12-1-2-13-30(21)22(23)16-31/h3-10,21-23,31H,1-2,11-16H2/t21-,22-,23-/m0/s1.
What are the key properties of [(8R,9S,10R)-9-[4-(4-fluorophenyl)phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol?
[(8R,9S,10R)-9-[4-(4-fluorophenyl)phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol has a molecular weight of 436.49 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(8R,9S,10R)-9-[4-(4-fluorophenyl)phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol is sourced from PubChem (CID 54668781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).