fluoromethane;(2R,3R)-8-[(E)-3-iodoprop-2-enyl]-2-methyl-3-phenyl-8-azabicyclo[3.2.1]octane

C18H25FIN — CID 90903155

About fluoromethane;(2R,3R)-8-[(E)-3-iodoprop-2-enyl]-2-methyl-3-phenyl-8-azabicyclo[3.2.1]octane

fluoromethane;(2R,3R)-8-[(E)-3-iodoprop-2-enyl]-2-methyl-3-phenyl-8-azabicyclo[3.2.1]octane (PubChem CID 90903155) has the molecular formula C18H25FIN and a molecular weight of 401.31 g/mol. Its IUPAC name is fluoromethane;(2R,3R)-8-[(E)-3-iodoprop-2-enyl]-2-methyl-3-phenyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

• Compound Name: fluoromethane;(2R,3R)-8-[(E)-3-iodoprop-2-enyl]-2-methyl-3-phenyl-8-azabicyclo[3.2.1]octane
• PubChem CID: 90903155
• Molecular Formula: C18H25FIN
• Molecular Weight: 401.31 g/mol
• Exact Mass: 401.10
• IUPAC Name: fluoromethane;(2R,3R)-8-[(E)-3-iodoprop-2-enyl]-2-methyl-3-phenyl-8-azabicyclo[3.2.1]octane
• SMILES: CF.C[C@H]1C2CCC(C[C@H]1c1ccccc1)N2C/C=C/I
• InChI: InChI=1S/C17H22IN.CH3F/c1-13-16(14-6-3-2-4-7-14)12-15-8-9-17(13)19(15)11-5-10-18;1-2/h2-7,10,13,15-17H,8-9,11-12H2,1H3;1H3/b10-5+;/t13-,15?,16-,17?;/m1./s1
• InChIKey: NJVRNJINUTVEHO-IQZKDWNFSA-N
• XLogP: 5.18
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	401.31
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of fluoromethane;(2R,3R)-8-[(E)-3-iodoprop-2-enyl]-2-methyl-3-phenyl-8-azabicyclo[3.2.1]octane?

The IUPAC name of fluoromethane;(2R,3R)-8-[(E)-3-iodoprop-2-enyl]-2-methyl-3-phenyl-8-azabicyclo[3.2.1]octane (CID 90903155) is fluoromethane;(2R,3R)-8-[(E)-3-iodoprop-2-enyl]-2-methyl-3-phenyl-8-azabicyclo[3.2.1]octane.

What is the SMILES notation for fluoromethane;(2R,3R)-8-[(E)-3-iodoprop-2-enyl]-2-methyl-3-phenyl-8-azabicyclo[3.2.1]octane?

The canonical SMILES for fluoromethane;(2R,3R)-8-[(E)-3-iodoprop-2-enyl]-2-methyl-3-phenyl-8-azabicyclo[3.2.1]octane is CF.C[C@H]1C2CCC(C[C@H]1c1ccccc1)N2C/C=C/I.

What is the InChIKey of fluoromethane;(2R,3R)-8-[(E)-3-iodoprop-2-enyl]-2-methyl-3-phenyl-8-azabicyclo[3.2.1]octane?

The InChIKey is NJVRNJINUTVEHO-IQZKDWNFSA-N. The full InChI is InChI=1S/C17H22IN.CH3F/c1-13-16(14-6-3-2-4-7-14)12-15-8-9-17(13)19(15)11-5-10-18;1-2/h2-7,10,13,15-17H,8-9,11-12H2,1H3;1H3/b10-5+;/t13-,15?,16-,17?;/m1./s1.

What are the key properties of fluoromethane;(2R,3R)-8-[(E)-3-iodoprop-2-enyl]-2-methyl-3-phenyl-8-azabicyclo[3.2.1]octane?

fluoromethane;(2R,3R)-8-[(E)-3-iodoprop-2-enyl]-2-methyl-3-phenyl-8-azabicyclo[3.2.1]octane has a molecular weight of 401.31 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for fluoromethane;(2R,3R)-8-[(E)-3-iodoprop-2-enyl]-2-methyl-3-phenyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 90903155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).