(1S,5R,6S)-6-(fluoromethyl)-3-azabicyclo[3.2.0]heptan-1-amine

C7H13FN2 — CID 89257349

IUPAC(1S,5R,6S)-6-(fluoromethyl)-3-azabicyclo[3.2.0]heptan-1-amine
SMILESN[C@]12CNC[C@H]1[C@@H](CF)C2
InChIInChI=1S/C7H13FN2/c8-2-5-1-7(9)4-10-3-6(5)7/h5-6,10H,1-4,9H2/t5-,6+,7-/m1/s1
InChIKeySTSVRPGLEPJIFD-DSYKOEDSSA-N
MW144.19 g/mol
LogP-0.11
Rot. Bonds1

About (1S,5R,6S)-6-(fluoromethyl)-3-azabicyclo[3.2.0]heptan-1-amine

(1S,5R,6S)-6-(fluoromethyl)-3-azabicyclo[3.2.0]heptan-1-amine (PubChem CID 89257349) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is (1S,5R,6S)-6-(fluoromethyl)-3-azabicyclo[3.2.0]heptan-1-amine.

Molecular Properties

Compound Name(1S,5R,6S)-6-(fluoromethyl)-3-azabicyclo[3.2.0]heptan-1-amine
PubChem CID89257349
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name(1S,5R,6S)-6-(fluoromethyl)-3-azabicyclo[3.2.0]heptan-1-amine
SMILESN[C@]12CNC[C@H]1[C@@H](CF)C2
InChIInChI=1S/C7H13FN2/c8-2-5-1-7(9)4-10-3-6(5)7/h5-6,10H,1-4,9H2/t5-,6+,7-/m1/s1
InChIKeySTSVRPGLEPJIFD-DSYKOEDSSA-N
XLogP-0.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R,6S)-6-(fluoromethyl)-3-azabicyclo[3.2.0]heptan-1-amine?
The IUPAC name of (1S,5R,6S)-6-(fluoromethyl)-3-azabicyclo[3.2.0]heptan-1-amine (CID 89257349) is (1S,5R,6S)-6-(fluoromethyl)-3-azabicyclo[3.2.0]heptan-1-amine.
What is the SMILES notation for (1S,5R,6S)-6-(fluoromethyl)-3-azabicyclo[3.2.0]heptan-1-amine?
The canonical SMILES for (1S,5R,6S)-6-(fluoromethyl)-3-azabicyclo[3.2.0]heptan-1-amine is N[C@]12CNC[C@H]1[C@@H](CF)C2.
What is the InChIKey of (1S,5R,6S)-6-(fluoromethyl)-3-azabicyclo[3.2.0]heptan-1-amine?
The InChIKey is STSVRPGLEPJIFD-DSYKOEDSSA-N. The full InChI is InChI=1S/C7H13FN2/c8-2-5-1-7(9)4-10-3-6(5)7/h5-6,10H,1-4,9H2/t5-,6+,7-/m1/s1.
What are the key properties of (1S,5R,6S)-6-(fluoromethyl)-3-azabicyclo[3.2.0]heptan-1-amine?
(1S,5R,6S)-6-(fluoromethyl)-3-azabicyclo[3.2.0]heptan-1-amine has a molecular weight of 144.19 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6S)-6-(fluoromethyl)-3-azabicyclo[3.2.0]heptan-1-amine is sourced from PubChem (CID 89257349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).