(7S)-7-fluoro-2-azaspiro[3.3]heptane

C6H10FN — CID 124707013

IUPAC(7S)-7-fluoro-2-azaspiro[3.3]heptane
SMILESF[C@H]1CCC12CNC2
InChIInChI=1S/C6H10FN/c7-5-1-2-6(5)3-8-4-6/h5,8H,1-4H2/t5-/m0/s1
InChIKeyPFIVKEVGHOCJLA-YFKPBYRVSA-N
MW115.15 g/mol
LogP0.71
Rot. Bonds

About (7S)-7-fluoro-2-azaspiro[3.3]heptane

(7S)-7-fluoro-2-azaspiro[3.3]heptane (PubChem CID 124707013) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is (7S)-7-fluoro-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name(7S)-7-fluoro-2-azaspiro[3.3]heptane
PubChem CID124707013
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name(7S)-7-fluoro-2-azaspiro[3.3]heptane
SMILESF[C@H]1CCC12CNC2
InChIInChI=1S/C6H10FN/c7-5-1-2-6(5)3-8-4-6/h5,8H,1-4H2/t5-/m0/s1
InChIKeyPFIVKEVGHOCJLA-YFKPBYRVSA-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-2-azaspiro[3.3]heptane?
The IUPAC name of (7S)-7-fluoro-2-azaspiro[3.3]heptane (CID 124707013) is (7S)-7-fluoro-2-azaspiro[3.3]heptane.
What is the SMILES notation for (7S)-7-fluoro-2-azaspiro[3.3]heptane?
The canonical SMILES for (7S)-7-fluoro-2-azaspiro[3.3]heptane is F[C@H]1CCC12CNC2.
What is the InChIKey of (7S)-7-fluoro-2-azaspiro[3.3]heptane?
The InChIKey is PFIVKEVGHOCJLA-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10FN/c7-5-1-2-6(5)3-8-4-6/h5,8H,1-4H2/t5-/m0/s1.
What are the key properties of (7S)-7-fluoro-2-azaspiro[3.3]heptane?
(7S)-7-fluoro-2-azaspiro[3.3]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-2-azaspiro[3.3]heptane is sourced from PubChem (CID 124707013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).