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

C9H16F2N2 — CID 129230060

IUPAC(5S)-6,6-difluoro-2-methyl-2,9-diazaspiro[4.5]decane
SMILESCN1CC[C@]2(CNCCC2(F)F)C1
InChIInChI=1S/C9H16F2N2/c1-13-5-3-8(7-13)6-12-4-2-9(8,10)11/h12H,2-7H2,1H3/t8-/m0/s1
InChIKeyFRYLXVILQIQAED-QMMMGPOBSA-N
MW190.24 g/mol
LogP0.94
Rot. Bonds

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

(5S)-6,6-difluoro-2-methyl-2,9-diazaspiro[4.5]decane (PubChem CID 129230060) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (5S)-6,6-difluoro-2-methyl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-6,6-difluoro-2-methyl-2,9-diazaspiro[4.5]decane
PubChem CID129230060
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name(5S)-6,6-difluoro-2-methyl-2,9-diazaspiro[4.5]decane
SMILESCN1CC[C@]2(CNCCC2(F)F)C1
InChIInChI=1S/C9H16F2N2/c1-13-5-3-8(7-13)6-12-4-2-9(8,10)11/h12H,2-7H2,1H3/t8-/m0/s1
InChIKeyFRYLXVILQIQAED-QMMMGPOBSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-6,6-difluoro-2-methyl-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5S)-6,6-difluoro-2-methyl-2,9-diazaspiro[4.5]decane (CID 129230060) is (5S)-6,6-difluoro-2-methyl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-6,6-difluoro-2-methyl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-6,6-difluoro-2-methyl-2,9-diazaspiro[4.5]decane is CN1CC[C@]2(CNCCC2(F)F)C1.
What is the InChIKey of (5S)-6,6-difluoro-2-methyl-2,9-diazaspiro[4.5]decane?
The InChIKey is FRYLXVILQIQAED-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16F2N2/c1-13-5-3-8(7-13)6-12-4-2-9(8,10)11/h12H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (5S)-6,6-difluoro-2-methyl-2,9-diazaspiro[4.5]decane?
(5S)-6,6-difluoro-2-methyl-2,9-diazaspiro[4.5]decane has a molecular weight of 190.24 g/mol, XLogP of 0.94, 0 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-methyl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 129230060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).