5-fluoro-2-propan-2-yl-2,7-diazaspiro[3.4]octane

C9H17FN2 — CID 170686929

IUPAC5-fluoro-2-propan-2-yl-2,7-diazaspiro[3.4]octane
SMILESCC(C)N1CC2(CNCC2F)C1
InChIInChI=1S/C9H17FN2/c1-7(2)12-5-9(6-12)4-11-3-8(9)10/h7-8,11H,3-6H2,1-2H3
InChIKeyOXGXZOKXBBCHJQ-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.64
Rot. Bonds1

About 5-fluoro-2-propan-2-yl-2,7-diazaspiro[3.4]octane

5-fluoro-2-propan-2-yl-2,7-diazaspiro[3.4]octane (PubChem CID 170686929) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is 5-fluoro-2-propan-2-yl-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name5-fluoro-2-propan-2-yl-2,7-diazaspiro[3.4]octane
PubChem CID170686929
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name5-fluoro-2-propan-2-yl-2,7-diazaspiro[3.4]octane
SMILESCC(C)N1CC2(CNCC2F)C1
InChIInChI=1S/C9H17FN2/c1-7(2)12-5-9(6-12)4-11-3-8(9)10/h7-8,11H,3-6H2,1-2H3
InChIKeyOXGXZOKXBBCHJQ-UHFFFAOYSA-N
XLogP0.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-propan-2-yl-2,7-diazaspiro[3.4]octane?
The IUPAC name of 5-fluoro-2-propan-2-yl-2,7-diazaspiro[3.4]octane (CID 170686929) is 5-fluoro-2-propan-2-yl-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 5-fluoro-2-propan-2-yl-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 5-fluoro-2-propan-2-yl-2,7-diazaspiro[3.4]octane is CC(C)N1CC2(CNCC2F)C1.
What is the InChIKey of 5-fluoro-2-propan-2-yl-2,7-diazaspiro[3.4]octane?
The InChIKey is OXGXZOKXBBCHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2/c1-7(2)12-5-9(6-12)4-11-3-8(9)10/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 5-fluoro-2-propan-2-yl-2,7-diazaspiro[3.4]octane?
5-fluoro-2-propan-2-yl-2,7-diazaspiro[3.4]octane has a molecular weight of 172.25 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-propan-2-yl-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 170686929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).