(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octane

C24H27F2NO — CID 10714990

IUPAC(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octane
SMILESFc1ccc(C(OC2C[C@H]3CC[C@@H](C2)N3CC2CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H27F2NO/c25-19-7-3-17(4-8-19)24(18-5-9-20(26)10-6-18)28-23-13-21-11-12-22(14-23)27(21)15-16-1-2-16/h3-10,16,21-24H,1-2,11-15H2/t21-,22+,23?
InChIKeyPMCPPYXVCCGLLE-AIZNXBIQSA-N
MW383.48 g/mol
LogP5.48
Rot. Bonds6

About (1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octane

(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octane (PubChem CID 10714990) has the molecular formula C24H27F2NO and a molecular weight of 383.48 g/mol. Its IUPAC name is (1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octane
PubChem CID10714990
Molecular FormulaC24H27F2NO
Molecular Weight383.48 g/mol
Exact Mass383.21
IUPAC Name(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octane
SMILESFc1ccc(C(OC2C[C@H]3CC[C@@H](C2)N3CC2CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H27F2NO/c25-19-7-3-17(4-8-19)24(18-5-9-20(26)10-6-18)28-23-13-21-11-12-22(14-23)27(21)15-16-1-2-16/h3-10,16,21-24H,1-2,11-15H2/t21-,22+,23?
InChIKeyPMCPPYXVCCGLLE-AIZNXBIQSA-N
XLogP5.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.48
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octane (CID 10714990) is (1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octane is Fc1ccc(C(OC2C[C@H]3CC[C@@H](C2)N3CC2CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of (1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is PMCPPYXVCCGLLE-AIZNXBIQSA-N. The full InChI is InChI=1S/C24H27F2NO/c25-19-7-3-17(4-8-19)24(18-5-9-20(26)10-6-18)28-23-13-21-11-12-22(14-23)27(21)15-16-1-2-16/h3-10,16,21-24H,1-2,11-15H2/t21-,22+,23?.
What are the key properties of (1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octane?
(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 383.48 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 10714990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).