(5S)-6,6-difluoro-2-pentyl-2,9-diazaspiro[4.5]decane

C13H24F2N2 — CID 146362021

IUPAC(5S)-6,6-difluoro-2-pentyl-2,9-diazaspiro[4.5]decane
SMILESCCCCCN1CC[C@]2(CNCCC2(F)F)C1
InChIInChI=1S/C13H24F2N2/c1-2-3-4-8-17-9-6-12(11-17)10-16-7-5-13(12,14)15/h16H,2-11H2,1H3/t12-/m0/s1
InChIKeyNBKTTZHFMXSBAE-LBPRGKRZSA-N
MW246.34 g/mol
LogP2.50
Rot. Bonds4

About (5S)-6,6-difluoro-2-pentyl-2,9-diazaspiro[4.5]decane

(5S)-6,6-difluoro-2-pentyl-2,9-diazaspiro[4.5]decane (PubChem CID 146362021) has the molecular formula C13H24F2N2 and a molecular weight of 246.34 g/mol. Its IUPAC name is (5S)-6,6-difluoro-2-pentyl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-6,6-difluoro-2-pentyl-2,9-diazaspiro[4.5]decane
PubChem CID146362021
Molecular FormulaC13H24F2N2
Molecular Weight246.34 g/mol
Exact Mass246.19
IUPAC Name(5S)-6,6-difluoro-2-pentyl-2,9-diazaspiro[4.5]decane
SMILESCCCCCN1CC[C@]2(CNCCC2(F)F)C1
InChIInChI=1S/C13H24F2N2/c1-2-3-4-8-17-9-6-12(11-17)10-16-7-5-13(12,14)15/h16H,2-11H2,1H3/t12-/m0/s1
InChIKeyNBKTTZHFMXSBAE-LBPRGKRZSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-6,6-difluoro-2-pentyl-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5S)-6,6-difluoro-2-pentyl-2,9-diazaspiro[4.5]decane (CID 146362021) is (5S)-6,6-difluoro-2-pentyl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-6,6-difluoro-2-pentyl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-6,6-difluoro-2-pentyl-2,9-diazaspiro[4.5]decane is CCCCCN1CC[C@]2(CNCCC2(F)F)C1.
What is the InChIKey of (5S)-6,6-difluoro-2-pentyl-2,9-diazaspiro[4.5]decane?
The InChIKey is NBKTTZHFMXSBAE-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24F2N2/c1-2-3-4-8-17-9-6-12(11-17)10-16-7-5-13(12,14)15/h16H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of (5S)-6,6-difluoro-2-pentyl-2,9-diazaspiro[4.5]decane?
(5S)-6,6-difluoro-2-pentyl-2,9-diazaspiro[4.5]decane has a molecular weight of 246.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6,6-difluoro-2-pentyl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 146362021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).