8-[bis(2-chlorophenyl)methyl]-3-(fluoromethyl)-3-phenyl-8-azabicyclo[3.2.1]octane

C27H26Cl2FN — CID 44574706

IUPAC8-[bis(2-chlorophenyl)methyl]-3-(fluoromethyl)-3-phenyl-8-azabicyclo[3.2.1]octane
SMILESFCC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C27H26Cl2FN/c28-24-12-6-4-10-22(24)26(23-11-5-7-13-25(23)29)31-20-14-15-21(31)17-27(16-20,18-30)19-8-2-1-3-9-19/h1-13,20-21,26H,14-18H2
InChIKeyAEHBDXWWYVXDOD-UHFFFAOYSA-N
MW454.42 g/mol
LogP7.62
Rot. Bonds5

About 8-[bis(2-chlorophenyl)methyl]-3-(fluoromethyl)-3-phenyl-8-azabicyclo[3.2.1]octane

8-[bis(2-chlorophenyl)methyl]-3-(fluoromethyl)-3-phenyl-8-azabicyclo[3.2.1]octane (PubChem CID 44574706) has the molecular formula C27H26Cl2FN and a molecular weight of 454.42 g/mol. Its IUPAC name is 8-[bis(2-chlorophenyl)methyl]-3-(fluoromethyl)-3-phenyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-[bis(2-chlorophenyl)methyl]-3-(fluoromethyl)-3-phenyl-8-azabicyclo[3.2.1]octane
PubChem CID44574706
Molecular FormulaC27H26Cl2FN
Molecular Weight454.42 g/mol
Exact Mass453.14
IUPAC Name8-[bis(2-chlorophenyl)methyl]-3-(fluoromethyl)-3-phenyl-8-azabicyclo[3.2.1]octane
SMILESFCC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C27H26Cl2FN/c28-24-12-6-4-10-22(24)26(23-11-5-7-13-25(23)29)31-20-14-15-21(31)17-27(16-20,18-30)19-8-2-1-3-9-19/h1-13,20-21,26H,14-18H2
InChIKeyAEHBDXWWYVXDOD-UHFFFAOYSA-N
XLogP7.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.42
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R,5S)-8-[bis(2-chlorophenyl)methyl]-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 118718267
8-[(2-chlorophenyl)-(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 71196947
8-[bis(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 44574962
N-[[(1S,5S)-8-[bis(2-chlorophenyl)methyl]-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
CID 44562654
N-[[(1S,5R)-8-[bis(2-chlorophenyl)methyl]-3-(3-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
CID 118718282
8-[bis(2-chlorophenyl)methyl]-3-pyrimidin-4-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 22725100
8-[bis(2-chlorophenyl)methyl]-3-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane
CID 56660325
7-[bis(2-chlorophenyl)methyl]-2-(1,5-dihydroimidazol-3-ium-2-yl)-7-azabicyclo[2.2.1]heptan-2-ol
CID 163751964
7-[bis(2-chlorophenyl)methyl]-2-pyrimidin-4-yl-7-azabicyclo[2.2.1]heptan-2-ol
CID 142241678
8-[bis(2-chlorophenyl)methyl]-3-(4-piperazin-1-ylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 22725085
8-[bis(2-chlorophenyl)methyl]-3-(5-ethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-1-ol
CID 91393091
N-[[7-[bis(2-chlorophenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridin-3-amine
CID 163865509

Frequently Asked Questions

What is the IUPAC name of 8-[bis(2-chlorophenyl)methyl]-3-(fluoromethyl)-3-phenyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-[bis(2-chlorophenyl)methyl]-3-(fluoromethyl)-3-phenyl-8-azabicyclo[3.2.1]octane (CID 44574706) is 8-[bis(2-chlorophenyl)methyl]-3-(fluoromethyl)-3-phenyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-[bis(2-chlorophenyl)methyl]-3-(fluoromethyl)-3-phenyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-[bis(2-chlorophenyl)methyl]-3-(fluoromethyl)-3-phenyl-8-azabicyclo[3.2.1]octane is FCC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of 8-[bis(2-chlorophenyl)methyl]-3-(fluoromethyl)-3-phenyl-8-azabicyclo[3.2.1]octane?
The InChIKey is AEHBDXWWYVXDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl2FN/c28-24-12-6-4-10-22(24)26(23-11-5-7-13-25(23)29)31-20-14-15-21(31)17-27(16-20,18-30)19-8-2-1-3-9-19/h1-13,20-21,26H,14-18H2.
What are the key properties of 8-[bis(2-chlorophenyl)methyl]-3-(fluoromethyl)-3-phenyl-8-azabicyclo[3.2.1]octane?
8-[bis(2-chlorophenyl)methyl]-3-(fluoromethyl)-3-phenyl-8-azabicyclo[3.2.1]octane has a molecular weight of 454.42 g/mol, XLogP of 7.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[bis(2-chlorophenyl)methyl]-3-(fluoromethyl)-3-phenyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 44574706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).