(7S)-7-fluoro-5-azaspiro[2.4]heptane

C6H10FN — CID 129375450

IUPAC(7S)-7-fluoro-5-azaspiro[2.4]heptane
SMILESF[C@@H]1CNCC12CC2
InChIInChI=1S/C6H10FN/c7-5-3-8-4-6(5)1-2-6/h5,8H,1-4H2/t5-/m1/s1
InChIKeyXEIDPQMPQCWEAG-RXMQYKEDSA-N
MW115.15 g/mol
LogP0.71
Rot. Bonds

About (7S)-7-fluoro-5-azaspiro[2.4]heptane

(7S)-7-fluoro-5-azaspiro[2.4]heptane (PubChem CID 129375450) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is (7S)-7-fluoro-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name(7S)-7-fluoro-5-azaspiro[2.4]heptane
PubChem CID129375450
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name(7S)-7-fluoro-5-azaspiro[2.4]heptane
SMILESF[C@@H]1CNCC12CC2
InChIInChI=1S/C6H10FN/c7-5-3-8-4-6(5)1-2-6/h5,8H,1-4H2/t5-/m1/s1
InChIKeyXEIDPQMPQCWEAG-RXMQYKEDSA-N
XLogP0.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-fluoro-5-azaspiro[2.4]heptane?
The IUPAC name of (7S)-7-fluoro-5-azaspiro[2.4]heptane (CID 129375450) is (7S)-7-fluoro-5-azaspiro[2.4]heptane.
What is the SMILES notation for (7S)-7-fluoro-5-azaspiro[2.4]heptane?
The canonical SMILES for (7S)-7-fluoro-5-azaspiro[2.4]heptane is F[C@@H]1CNCC12CC2.
What is the InChIKey of (7S)-7-fluoro-5-azaspiro[2.4]heptane?
The InChIKey is XEIDPQMPQCWEAG-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10FN/c7-5-3-8-4-6(5)1-2-6/h5,8H,1-4H2/t5-/m1/s1.
What are the key properties of (7S)-7-fluoro-5-azaspiro[2.4]heptane?
(7S)-7-fluoro-5-azaspiro[2.4]heptane has a molecular weight of 115.15 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-fluoro-5-azaspiro[2.4]heptane is sourced from PubChem (CID 129375450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).