(8R)-9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene

C24H26F3N — CID 146498041

IUPAC(8R)-9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene
SMILESFC(F)(F)c1ccc(-c2ccc3c(c2)[C@H]2CC3CCCN2C2CCCC2)cc1
InChIInChI=1S/C24H26F3N/c25-24(26,27)19-10-7-16(8-11-19)17-9-12-21-18-4-3-13-28(20-5-1-2-6-20)23(15-18)22(21)14-17/h7-12,14,18,20,23H,1-6,13,15H2/t18?,23-/m1/s1
InChIKeyFIXCODAUWLUWAN-WBPHRXDCSA-N
MW385.47 g/mol
LogP6.94
Rot. Bonds2

About (8R)-9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene

(8R)-9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene (PubChem CID 146498041) has the molecular formula C24H26F3N and a molecular weight of 385.47 g/mol. Its IUPAC name is (8R)-9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene.

Molecular Properties

Compound Name(8R)-9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene
PubChem CID146498041
Molecular FormulaC24H26F3N
Molecular Weight385.47 g/mol
Exact Mass385.20
IUPAC Name(8R)-9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene
SMILESFC(F)(F)c1ccc(-c2ccc3c(c2)[C@H]2CC3CCCN2C2CCCC2)cc1
InChIInChI=1S/C24H26F3N/c25-24(26,27)19-10-7-16(8-11-19)17-9-12-21-18-4-3-13-28(20-5-1-2-6-20)23(15-18)22(21)14-17/h7-12,14,18,20,23H,1-6,13,15H2/t18?,23-/m1/s1
InChIKeyFIXCODAUWLUWAN-WBPHRXDCSA-N
XLogP6.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8R)-9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene?
The IUPAC name of (8R)-9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene (CID 146498041) is (8R)-9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene.
What is the SMILES notation for (8R)-9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene?
The canonical SMILES for (8R)-9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene is FC(F)(F)c1ccc(-c2ccc3c(c2)[C@H]2CC3CCCN2C2CCCC2)cc1.
What is the InChIKey of (8R)-9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene?
The InChIKey is FIXCODAUWLUWAN-WBPHRXDCSA-N. The full InChI is InChI=1S/C24H26F3N/c25-24(26,27)19-10-7-16(8-11-19)17-9-12-21-18-4-3-13-28(20-5-1-2-6-20)23(15-18)22(21)14-17/h7-12,14,18,20,23H,1-6,13,15H2/t18?,23-/m1/s1.
What are the key properties of (8R)-9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene?
(8R)-9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene has a molecular weight of 385.47 g/mol, XLogP of 6.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene is sourced from PubChem (CID 146498041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).