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

C6H10F2N2 — CID 123351009

IUPAC(1S,5S)-6,6-difluoro-3-azabicyclo[3.2.0]heptan-1-amine
SMILESN[C@]12CNC[C@@H]1C(F)(F)C2
InChIInChI=1S/C6H10F2N2/c7-6(8)2-5(9)3-10-1-4(5)6/h4,10H,1-3,9H2/t4-,5+/m0/s1
InChIKeyZQIYDXGFDNALOE-CRCLSJGQSA-N
MW148.16 g/mol
LogP-0.06
Rot. Bonds

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

(1S,5S)-6,6-difluoro-3-azabicyclo[3.2.0]heptan-1-amine (PubChem CID 123351009) has the molecular formula C6H10F2N2 and a molecular weight of 148.16 g/mol. Its IUPAC name is (1S,5S)-6,6-difluoro-3-azabicyclo[3.2.0]heptan-1-amine.

Molecular Properties

Compound Name(1S,5S)-6,6-difluoro-3-azabicyclo[3.2.0]heptan-1-amine
PubChem CID123351009
Molecular FormulaC6H10F2N2
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name(1S,5S)-6,6-difluoro-3-azabicyclo[3.2.0]heptan-1-amine
SMILESN[C@]12CNC[C@@H]1C(F)(F)C2
InChIInChI=1S/C6H10F2N2/c7-6(8)2-5(9)3-10-1-4(5)6/h4,10H,1-3,9H2/t4-,5+/m0/s1
InChIKeyZQIYDXGFDNALOE-CRCLSJGQSA-N
XLogP-0.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-6,6-difluoro-3-azabicyclo[3.2.0]heptan-1-amine?
The IUPAC name of (1S,5S)-6,6-difluoro-3-azabicyclo[3.2.0]heptan-1-amine (CID 123351009) is (1S,5S)-6,6-difluoro-3-azabicyclo[3.2.0]heptan-1-amine.
What is the SMILES notation for (1S,5S)-6,6-difluoro-3-azabicyclo[3.2.0]heptan-1-amine?
The canonical SMILES for (1S,5S)-6,6-difluoro-3-azabicyclo[3.2.0]heptan-1-amine is N[C@]12CNC[C@@H]1C(F)(F)C2.
What is the InChIKey of (1S,5S)-6,6-difluoro-3-azabicyclo[3.2.0]heptan-1-amine?
The InChIKey is ZQIYDXGFDNALOE-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H10F2N2/c7-6(8)2-5(9)3-10-1-4(5)6/h4,10H,1-3,9H2/t4-,5+/m0/s1.
What are the key properties of (1S,5S)-6,6-difluoro-3-azabicyclo[3.2.0]heptan-1-amine?
(1S,5S)-6,6-difluoro-3-azabicyclo[3.2.0]heptan-1-amine has a molecular weight of 148.16 g/mol, XLogP of -0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-6,6-difluoro-3-azabicyclo[3.2.0]heptan-1-amine is sourced from PubChem (CID 123351009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).