(4R)-1-(2-fluoroethyl)-1,8-diazaspiro[3.5]nonane

C9H17FN2 — CID 97399268

IUPAC(4R)-1-(2-fluoroethyl)-1,8-diazaspiro[3.5]nonane
SMILESFCCN1CC[C@@]12CCCNC2
InChIInChI=1S/C9H17FN2/c10-4-7-12-6-3-9(12)2-1-5-11-8-9/h11H,1-8H2/t9-/m1/s1
InChIKeyZIPSAPUHGQJTGI-SECBINFHSA-N
MW172.25 g/mol
LogP0.78
Rot. Bonds2

About (4R)-1-(2-fluoroethyl)-1,8-diazaspiro[3.5]nonane

(4R)-1-(2-fluoroethyl)-1,8-diazaspiro[3.5]nonane (PubChem CID 97399268) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is (4R)-1-(2-fluoroethyl)-1,8-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name(4R)-1-(2-fluoroethyl)-1,8-diazaspiro[3.5]nonane
PubChem CID97399268
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name(4R)-1-(2-fluoroethyl)-1,8-diazaspiro[3.5]nonane
SMILESFCCN1CC[C@@]12CCCNC2
InChIInChI=1S/C9H17FN2/c10-4-7-12-6-3-9(12)2-1-5-11-8-9/h11H,1-8H2/t9-/m1/s1
InChIKeyZIPSAPUHGQJTGI-SECBINFHSA-N
XLogP0.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2-fluoroethyl)-1,8-diazaspiro[3.5]nonane?
The IUPAC name of (4R)-1-(2-fluoroethyl)-1,8-diazaspiro[3.5]nonane (CID 97399268) is (4R)-1-(2-fluoroethyl)-1,8-diazaspiro[3.5]nonane.
What is the SMILES notation for (4R)-1-(2-fluoroethyl)-1,8-diazaspiro[3.5]nonane?
The canonical SMILES for (4R)-1-(2-fluoroethyl)-1,8-diazaspiro[3.5]nonane is FCCN1CC[C@@]12CCCNC2.
What is the InChIKey of (4R)-1-(2-fluoroethyl)-1,8-diazaspiro[3.5]nonane?
The InChIKey is ZIPSAPUHGQJTGI-SECBINFHSA-N. The full InChI is InChI=1S/C9H17FN2/c10-4-7-12-6-3-9(12)2-1-5-11-8-9/h11H,1-8H2/t9-/m1/s1.
What are the key properties of (4R)-1-(2-fluoroethyl)-1,8-diazaspiro[3.5]nonane?
(4R)-1-(2-fluoroethyl)-1,8-diazaspiro[3.5]nonane has a molecular weight of 172.25 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2-fluoroethyl)-1,8-diazaspiro[3.5]nonane is sourced from PubChem (CID 97399268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).