(3S,6R)-3-[bis(4-fluorophenyl)methoxy]-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane

C22H25F2NO2 — CID 11428748

IUPAC(3S,6R)-3-[bis(4-fluorophenyl)methoxy]-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCO[C@@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C
InChIInChI=1S/C22H25F2NO2/c1-25-18-11-19(13-20(25)21(12-18)26-2)27-22(14-3-7-16(23)8-4-14)15-5-9-17(24)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19-,20?,21+/m0/s1
InChIKeyDRRFJWRBSWXNFW-KWJLTHHISA-N
MW373.44 g/mol
LogP4.32
Rot. Bonds5

About (3S,6R)-3-[bis(4-fluorophenyl)methoxy]-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane

(3S,6R)-3-[bis(4-fluorophenyl)methoxy]-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 11428748) has the molecular formula C22H25F2NO2 and a molecular weight of 373.44 g/mol. Its IUPAC name is (3S,6R)-3-[bis(4-fluorophenyl)methoxy]-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(3S,6R)-3-[bis(4-fluorophenyl)methoxy]-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID11428748
Molecular FormulaC22H25F2NO2
Molecular Weight373.44 g/mol
Exact Mass373.19
IUPAC Name(3S,6R)-3-[bis(4-fluorophenyl)methoxy]-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCO[C@@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C
InChIInChI=1S/C22H25F2NO2/c1-25-18-11-19(13-20(25)21(12-18)26-2)27-22(14-3-7-16(23)8-4-14)15-5-9-17(24)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19-,20?,21+/m0/s1
InChIKeyDRRFJWRBSWXNFW-KWJLTHHISA-N
XLogP4.32
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,6R)-3-[bis(4-fluorophenyl)methoxy]-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (3S,6R)-3-[bis(4-fluorophenyl)methoxy]-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane (CID 11428748) is (3S,6R)-3-[bis(4-fluorophenyl)methoxy]-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (3S,6R)-3-[bis(4-fluorophenyl)methoxy]-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (3S,6R)-3-[bis(4-fluorophenyl)methoxy]-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane is CO[C@@H]1CC2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)CC1N2C.
What is the InChIKey of (3S,6R)-3-[bis(4-fluorophenyl)methoxy]-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is DRRFJWRBSWXNFW-KWJLTHHISA-N. The full InChI is InChI=1S/C22H25F2NO2/c1-25-18-11-19(13-20(25)21(12-18)26-2)27-22(14-3-7-16(23)8-4-14)15-5-9-17(24)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19-,20?,21+/m0/s1.
What are the key properties of (3S,6R)-3-[bis(4-fluorophenyl)methoxy]-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane?
(3S,6R)-3-[bis(4-fluorophenyl)methoxy]-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 373.44 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-3-[bis(4-fluorophenyl)methoxy]-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 11428748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).