2-fluoro-6-propan-2-yl-2-azaspiro[3.3]heptane

C9H16FN — CID 170035578

IUPAC2-fluoro-6-propan-2-yl-2-azaspiro[3.3]heptane
SMILESCC(C)C1CC2(C1)CN(F)C2
InChIInChI=1S/C9H16FN/c1-7(2)8-3-9(4-8)5-11(10)6-9/h7-8H,3-6H2,1-2H3
InChIKeyGNBCYRDAZGLOBJ-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.24
Rot. Bonds1

About 2-fluoro-6-propan-2-yl-2-azaspiro[3.3]heptane

2-fluoro-6-propan-2-yl-2-azaspiro[3.3]heptane (PubChem CID 170035578) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 2-fluoro-6-propan-2-yl-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-fluoro-6-propan-2-yl-2-azaspiro[3.3]heptane
PubChem CID170035578
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name2-fluoro-6-propan-2-yl-2-azaspiro[3.3]heptane
SMILESCC(C)C1CC2(C1)CN(F)C2
InChIInChI=1S/C9H16FN/c1-7(2)8-3-9(4-8)5-11(10)6-9/h7-8H,3-6H2,1-2H3
InChIKeyGNBCYRDAZGLOBJ-UHFFFAOYSA-N
XLogP2.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-propan-2-yl-2-azaspiro[3.3]heptane?
The IUPAC name of 2-fluoro-6-propan-2-yl-2-azaspiro[3.3]heptane (CID 170035578) is 2-fluoro-6-propan-2-yl-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-fluoro-6-propan-2-yl-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-fluoro-6-propan-2-yl-2-azaspiro[3.3]heptane is CC(C)C1CC2(C1)CN(F)C2.
What is the InChIKey of 2-fluoro-6-propan-2-yl-2-azaspiro[3.3]heptane?
The InChIKey is GNBCYRDAZGLOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-7(2)8-3-9(4-8)5-11(10)6-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-fluoro-6-propan-2-yl-2-azaspiro[3.3]heptane?
2-fluoro-6-propan-2-yl-2-azaspiro[3.3]heptane has a molecular weight of 157.23 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-propan-2-yl-2-azaspiro[3.3]heptane is sourced from PubChem (CID 170035578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).