2-benzyl-3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-ol

C14H18FNO — CID 118940557

IUPAC2-benzyl-3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-ol
SMILESOC1CC2CC1N(Cc1ccccc1)C2CF
InChIInChI=1S/C14H18FNO/c15-8-13-11-6-12(14(17)7-11)16(13)9-10-4-2-1-3-5-10/h1-5,11-14,17H,6-9H2
InChIKeyXVKORZBQNKTKIX-UHFFFAOYSA-N
MW235.30 g/mol
LogP1.98
Rot. Bonds3

About 2-benzyl-3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-ol

2-benzyl-3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-ol (PubChem CID 118940557) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-benzyl-3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-ol.

Molecular Properties

Compound Name2-benzyl-3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-ol
PubChem CID118940557
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name2-benzyl-3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-ol
SMILESOC1CC2CC1N(Cc1ccccc1)C2CF
InChIInChI=1S/C14H18FNO/c15-8-13-11-6-12(14(17)7-11)16(13)9-10-4-2-1-3-5-10/h1-5,11-14,17H,6-9H2
InChIKeyXVKORZBQNKTKIX-UHFFFAOYSA-N
XLogP1.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-ol?
The IUPAC name of 2-benzyl-3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-ol (CID 118940557) is 2-benzyl-3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-ol.
What is the SMILES notation for 2-benzyl-3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-ol?
The canonical SMILES for 2-benzyl-3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-ol is OC1CC2CC1N(Cc1ccccc1)C2CF.
What is the InChIKey of 2-benzyl-3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-ol?
The InChIKey is XVKORZBQNKTKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c15-8-13-11-6-12(14(17)7-11)16(13)9-10-4-2-1-3-5-10/h1-5,11-14,17H,6-9H2.
What are the key properties of 2-benzyl-3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-ol?
2-benzyl-3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-ol has a molecular weight of 235.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(fluoromethyl)-2-azabicyclo[2.2.1]heptan-6-ol is sourced from PubChem (CID 118940557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).