(1R,8S)-1-[4-(trifluoromethyl)phenyl]-4-azabicyclo[6.1.0]nonane

C15H18F3N — CID 125492690

IUPAC(1R,8S)-1-[4-(trifluoromethyl)phenyl]-4-azabicyclo[6.1.0]nonane
SMILESFC(F)(F)c1ccc([C@]23CCNCCC[C@H]2C3)cc1
InChIInChI=1S/C15H18F3N/c16-15(17,18)12-5-3-11(4-6-12)14-7-9-19-8-1-2-13(14)10-14/h3-6,13,19H,1-2,7-10H2/t13-,14+/m0/s1
InChIKeyDWIOBZQRBCHCMK-UONOGXRCSA-N
MW269.31 g/mol
LogP3.74
Rot. Bonds1

About (1R,8S)-1-[4-(trifluoromethyl)phenyl]-4-azabicyclo[6.1.0]nonane

(1R,8S)-1-[4-(trifluoromethyl)phenyl]-4-azabicyclo[6.1.0]nonane (PubChem CID 125492690) has the molecular formula C15H18F3N and a molecular weight of 269.31 g/mol. Its IUPAC name is (1R,8S)-1-[4-(trifluoromethyl)phenyl]-4-azabicyclo[6.1.0]nonane.

Molecular Properties

Compound Name(1R,8S)-1-[4-(trifluoromethyl)phenyl]-4-azabicyclo[6.1.0]nonane
PubChem CID125492690
Molecular FormulaC15H18F3N
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name(1R,8S)-1-[4-(trifluoromethyl)phenyl]-4-azabicyclo[6.1.0]nonane
SMILESFC(F)(F)c1ccc([C@]23CCNCCC[C@H]2C3)cc1
InChIInChI=1S/C15H18F3N/c16-15(17,18)12-5-3-11(4-6-12)14-7-9-19-8-1-2-13(14)10-14/h3-6,13,19H,1-2,7-10H2/t13-,14+/m0/s1
InChIKeyDWIOBZQRBCHCMK-UONOGXRCSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,8S)-1-[4-(trifluoromethyl)phenyl]-4-azabicyclo[6.1.0]nonane?
The IUPAC name of (1R,8S)-1-[4-(trifluoromethyl)phenyl]-4-azabicyclo[6.1.0]nonane (CID 125492690) is (1R,8S)-1-[4-(trifluoromethyl)phenyl]-4-azabicyclo[6.1.0]nonane.
What is the SMILES notation for (1R,8S)-1-[4-(trifluoromethyl)phenyl]-4-azabicyclo[6.1.0]nonane?
The canonical SMILES for (1R,8S)-1-[4-(trifluoromethyl)phenyl]-4-azabicyclo[6.1.0]nonane is FC(F)(F)c1ccc([C@]23CCNCCC[C@H]2C3)cc1.
What is the InChIKey of (1R,8S)-1-[4-(trifluoromethyl)phenyl]-4-azabicyclo[6.1.0]nonane?
The InChIKey is DWIOBZQRBCHCMK-UONOGXRCSA-N. The full InChI is InChI=1S/C15H18F3N/c16-15(17,18)12-5-3-11(4-6-12)14-7-9-19-8-1-2-13(14)10-14/h3-6,13,19H,1-2,7-10H2/t13-,14+/m0/s1.
What are the key properties of (1R,8S)-1-[4-(trifluoromethyl)phenyl]-4-azabicyclo[6.1.0]nonane?
(1R,8S)-1-[4-(trifluoromethyl)phenyl]-4-azabicyclo[6.1.0]nonane has a molecular weight of 269.31 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-1-[4-(trifluoromethyl)phenyl]-4-azabicyclo[6.1.0]nonane is sourced from PubChem (CID 125492690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).