8-(2,3-difluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine

C13H16F2N2 — CID 55106618

IUPAC8-(2,3-difluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2c1cccc(F)c1F
InChIInChI=1S/C13H16F2N2/c14-11-2-1-3-12(13(11)15)17-9-4-5-10(17)7-8(16)6-9/h1-3,8-10H,4-7,16H2
InChIKeyFFRGDMLNWZQUST-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.42
Rot. Bonds1

About 8-(2,3-difluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine

8-(2,3-difluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 55106618) has the molecular formula C13H16F2N2 and a molecular weight of 238.28 g/mol. Its IUPAC name is 8-(2,3-difluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(2,3-difluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID55106618
Molecular FormulaC13H16F2N2
Molecular Weight238.28 g/mol
Exact Mass238.13
IUPAC Name8-(2,3-difluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2c1cccc(F)c1F
InChIInChI=1S/C13H16F2N2/c14-11-2-1-3-12(13(11)15)17-9-4-5-10(17)7-8(16)6-9/h1-3,8-10H,4-7,16H2
InChIKeyFFRGDMLNWZQUST-UHFFFAOYSA-N
XLogP2.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2,3-difluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(2,3-difluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 55106618) is 8-(2,3-difluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(2,3-difluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(2,3-difluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine is NC1CC2CCC(C1)N2c1cccc(F)c1F.
What is the InChIKey of 8-(2,3-difluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is FFRGDMLNWZQUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2/c14-11-2-1-3-12(13(11)15)17-9-4-5-10(17)7-8(16)6-9/h1-3,8-10H,4-7,16H2.
What are the key properties of 8-(2,3-difluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(2,3-difluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 238.28 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-difluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 55106618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).