7-[(3-fluorophenyl)methyl]-7-azabicyclo[2.2.1]heptane

C13H16FN — CID 70683685

IUPAC7-[(3-fluorophenyl)methyl]-7-azabicyclo[2.2.1]heptane
SMILESFc1cccc(CN2C3CCC2CC3)c1
InChIInChI=1S/C13H16FN/c14-11-3-1-2-10(8-11)9-15-12-4-5-13(15)7-6-12/h1-3,8,12-13H,4-7,9H2
InChIKeyHJOLMLNXMCFYQQ-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.95
Rot. Bonds2

About 7-[(3-fluorophenyl)methyl]-7-azabicyclo[2.2.1]heptane

7-[(3-fluorophenyl)methyl]-7-azabicyclo[2.2.1]heptane (PubChem CID 70683685) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is 7-[(3-fluorophenyl)methyl]-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-[(3-fluorophenyl)methyl]-7-azabicyclo[2.2.1]heptane
PubChem CID70683685
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name7-[(3-fluorophenyl)methyl]-7-azabicyclo[2.2.1]heptane
SMILESFc1cccc(CN2C3CCC2CC3)c1
InChIInChI=1S/C13H16FN/c14-11-3-1-2-10(8-11)9-15-12-4-5-13(15)7-6-12/h1-3,8,12-13H,4-7,9H2
InChIKeyHJOLMLNXMCFYQQ-UHFFFAOYSA-N
XLogP2.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-fluorophenyl)methyl]-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 7-[(3-fluorophenyl)methyl]-7-azabicyclo[2.2.1]heptane (CID 70683685) is 7-[(3-fluorophenyl)methyl]-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 7-[(3-fluorophenyl)methyl]-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 7-[(3-fluorophenyl)methyl]-7-azabicyclo[2.2.1]heptane is Fc1cccc(CN2C3CCC2CC3)c1.
What is the InChIKey of 7-[(3-fluorophenyl)methyl]-7-azabicyclo[2.2.1]heptane?
The InChIKey is HJOLMLNXMCFYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c14-11-3-1-2-10(8-11)9-15-12-4-5-13(15)7-6-12/h1-3,8,12-13H,4-7,9H2.
What are the key properties of 7-[(3-fluorophenyl)methyl]-7-azabicyclo[2.2.1]heptane?
7-[(3-fluorophenyl)methyl]-7-azabicyclo[2.2.1]heptane has a molecular weight of 205.28 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-fluorophenyl)methyl]-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 70683685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).