3-[(4-bromophenyl)methyl]-3-fluoro-8-azabicyclo[3.2.1]octane

C14H17BrFN — CID 112564535

IUPAC3-[(4-bromophenyl)methyl]-3-fluoro-8-azabicyclo[3.2.1]octane
SMILESFC1(Cc2ccc(Br)cc2)CC2CCC(C1)N2
InChIInChI=1S/C14H17BrFN/c15-11-3-1-10(2-4-11)7-14(16)8-12-5-6-13(9-14)17-12/h1-4,12-13,17H,5-9H2
InChIKeyDYBKDXOBBZNWRT-UHFFFAOYSA-N
MW298.20 g/mol
LogP3.61
Rot. Bonds2

About 3-[(4-bromophenyl)methyl]-3-fluoro-8-azabicyclo[3.2.1]octane

3-[(4-bromophenyl)methyl]-3-fluoro-8-azabicyclo[3.2.1]octane (PubChem CID 112564535) has the molecular formula C14H17BrFN and a molecular weight of 298.20 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-3-fluoro-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-3-fluoro-8-azabicyclo[3.2.1]octane
PubChem CID112564535
Molecular FormulaC14H17BrFN
Molecular Weight298.20 g/mol
Exact Mass297.05
IUPAC Name3-[(4-bromophenyl)methyl]-3-fluoro-8-azabicyclo[3.2.1]octane
SMILESFC1(Cc2ccc(Br)cc2)CC2CCC(C1)N2
InChIInChI=1S/C14H17BrFN/c15-11-3-1-10(2-4-11)7-14(16)8-12-5-6-13(9-14)17-12/h1-4,12-13,17H,5-9H2
InChIKeyDYBKDXOBBZNWRT-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-3-fluoro-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[(4-bromophenyl)methyl]-3-fluoro-8-azabicyclo[3.2.1]octane (CID 112564535) is 3-[(4-bromophenyl)methyl]-3-fluoro-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-3-fluoro-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-3-fluoro-8-azabicyclo[3.2.1]octane is FC1(Cc2ccc(Br)cc2)CC2CCC(C1)N2.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-3-fluoro-8-azabicyclo[3.2.1]octane?
The InChIKey is DYBKDXOBBZNWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN/c15-11-3-1-10(2-4-11)7-14(16)8-12-5-6-13(9-14)17-12/h1-4,12-13,17H,5-9H2.
What are the key properties of 3-[(4-bromophenyl)methyl]-3-fluoro-8-azabicyclo[3.2.1]octane?
3-[(4-bromophenyl)methyl]-3-fluoro-8-azabicyclo[3.2.1]octane has a molecular weight of 298.20 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-3-fluoro-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 112564535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).