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

C20H21F2N — CID 46878025

IUPAC(3R,5R)-2,3-bis(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CC[C@@H]1C[C@@H](c1ccc(F)cc1)C2c1ccc(F)cc1
InChIInChI=1S/C20H21F2N/c1-23-17-10-11-19(23)20(14-4-8-16(22)9-5-14)18(12-17)13-2-6-15(21)7-3-13/h2-9,17-20H,10-12H2,1H3/t17-,18+,19?,20?/m1/s1
InChIKeyHXQXDKYGUZKIHL-ZMTPEHOPSA-N
MW313.39 g/mol
LogP4.70
Rot. Bonds2

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

(3R,5R)-2,3-bis(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 46878025) has the molecular formula C20H21F2N and a molecular weight of 313.39 g/mol. Its IUPAC name is (3R,5R)-2,3-bis(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(3R,5R)-2,3-bis(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID46878025
Molecular FormulaC20H21F2N
Molecular Weight313.39 g/mol
Exact Mass313.16
IUPAC Name(3R,5R)-2,3-bis(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CC[C@@H]1C[C@@H](c1ccc(F)cc1)C2c1ccc(F)cc1
InChIInChI=1S/C20H21F2N/c1-23-17-10-11-19(23)20(14-4-8-16(22)9-5-14)18(12-17)13-2-6-15(21)7-3-13/h2-9,17-20H,10-12H2,1H3/t17-,18+,19?,20?/m1/s1
InChIKeyHXQXDKYGUZKIHL-ZMTPEHOPSA-N
XLogP4.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-2,3-bis(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (3R,5R)-2,3-bis(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane (CID 46878025) is (3R,5R)-2,3-bis(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (3R,5R)-2,3-bis(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (3R,5R)-2,3-bis(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane is CN1C2CC[C@@H]1C[C@@H](c1ccc(F)cc1)C2c1ccc(F)cc1.
What is the InChIKey of (3R,5R)-2,3-bis(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is HXQXDKYGUZKIHL-ZMTPEHOPSA-N. The full InChI is InChI=1S/C20H21F2N/c1-23-17-10-11-19(23)20(14-4-8-16(22)9-5-14)18(12-17)13-2-6-15(21)7-3-13/h2-9,17-20H,10-12H2,1H3/t17-,18+,19?,20?/m1/s1.
What are the key properties of (3R,5R)-2,3-bis(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane?
(3R,5R)-2,3-bis(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 313.39 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-2,3-bis(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 46878025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).