(3R,5R)-8-(3,3-diphenylpropyl)-2,3-bis(4-fluorophenyl)-8-azabicyclo[3.2.1]octane

C34H33F2N — CID 46878017

IUPAC(3R,5R)-8-(3,3-diphenylpropyl)-2,3-bis(4-fluorophenyl)-8-azabicyclo[3.2.1]octane
SMILESFc1ccc(C2C3CC[C@H](C[C@H]2c2ccc(F)cc2)N3CCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H33F2N/c35-28-15-11-26(12-16-28)32-23-30-19-20-33(34(32)27-13-17-29(36)18-14-27)37(30)22-21-31(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-18,30-34H,19-23H2/t30-,32+,33?,34?/m1/s1
InChIKeySGZZPXWMGBYGQL-VWYUDFMESA-N
MW493.64 g/mol
LogP8.29
Rot. Bonds7

About (3R,5R)-8-(3,3-diphenylpropyl)-2,3-bis(4-fluorophenyl)-8-azabicyclo[3.2.1]octane

(3R,5R)-8-(3,3-diphenylpropyl)-2,3-bis(4-fluorophenyl)-8-azabicyclo[3.2.1]octane (PubChem CID 46878017) has the molecular formula C34H33F2N and a molecular weight of 493.64 g/mol. Its IUPAC name is (3R,5R)-8-(3,3-diphenylpropyl)-2,3-bis(4-fluorophenyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(3R,5R)-8-(3,3-diphenylpropyl)-2,3-bis(4-fluorophenyl)-8-azabicyclo[3.2.1]octane
PubChem CID46878017
Molecular FormulaC34H33F2N
Molecular Weight493.64 g/mol
Exact Mass493.26
IUPAC Name(3R,5R)-8-(3,3-diphenylpropyl)-2,3-bis(4-fluorophenyl)-8-azabicyclo[3.2.1]octane
SMILESFc1ccc(C2C3CC[C@H](C[C@H]2c2ccc(F)cc2)N3CCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H33F2N/c35-28-15-11-26(12-16-28)32-23-30-19-20-33(34(32)27-13-17-29(36)18-14-27)37(30)22-21-31(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-18,30-34H,19-23H2/t30-,32+,33?,34?/m1/s1
InChIKeySGZZPXWMGBYGQL-VWYUDFMESA-N
XLogP8.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.64
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-8-(3,3-diphenylpropyl)-2,3-bis(4-fluorophenyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of (3R,5R)-8-(3,3-diphenylpropyl)-2,3-bis(4-fluorophenyl)-8-azabicyclo[3.2.1]octane (CID 46878017) is (3R,5R)-8-(3,3-diphenylpropyl)-2,3-bis(4-fluorophenyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (3R,5R)-8-(3,3-diphenylpropyl)-2,3-bis(4-fluorophenyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (3R,5R)-8-(3,3-diphenylpropyl)-2,3-bis(4-fluorophenyl)-8-azabicyclo[3.2.1]octane is Fc1ccc(C2C3CC[C@H](C[C@H]2c2ccc(F)cc2)N3CCC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (3R,5R)-8-(3,3-diphenylpropyl)-2,3-bis(4-fluorophenyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is SGZZPXWMGBYGQL-VWYUDFMESA-N. The full InChI is InChI=1S/C34H33F2N/c35-28-15-11-26(12-16-28)32-23-30-19-20-33(34(32)27-13-17-29(36)18-14-27)37(30)22-21-31(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-18,30-34H,19-23H2/t30-,32+,33?,34?/m1/s1.
What are the key properties of (3R,5R)-8-(3,3-diphenylpropyl)-2,3-bis(4-fluorophenyl)-8-azabicyclo[3.2.1]octane?
(3R,5R)-8-(3,3-diphenylpropyl)-2,3-bis(4-fluorophenyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 493.64 g/mol, XLogP of 8.29, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-8-(3,3-diphenylpropyl)-2,3-bis(4-fluorophenyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 46878017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).