(5S)-6,6-difluoro-2-propan-2-yl-2,9-diazaspiro[4.5]decane;methane

C12H24F2N2 — CID 167531970

IUPAC(5S)-6,6-difluoro-2-propan-2-yl-2,9-diazaspiro[4.5]decane;methane
SMILESC.CC(C)N1CC[C@]2(CNCCC2(F)F)C1
InChIInChI=1S/C11H20F2N2.CH4/c1-9(2)15-6-4-10(8-15)7-14-5-3-11(10,12)13;/h9,14H,3-8H2,1-2H3;1H4/t10-;/m0./s1
InChIKeyACAKNQZFXXLLPE-PPHPATTJSA-N
MW234.33 g/mol
LogP2.35
Rot. Bonds1

About (5S)-6,6-difluoro-2-propan-2-yl-2,9-diazaspiro[4.5]decane;methane

(5S)-6,6-difluoro-2-propan-2-yl-2,9-diazaspiro[4.5]decane;methane (PubChem CID 167531970) has the molecular formula C12H24F2N2 and a molecular weight of 234.33 g/mol. Its IUPAC name is (5S)-6,6-difluoro-2-propan-2-yl-2,9-diazaspiro[4.5]decane;methane.

Molecular Properties

Compound Name(5S)-6,6-difluoro-2-propan-2-yl-2,9-diazaspiro[4.5]decane;methane
PubChem CID167531970
Molecular FormulaC12H24F2N2
Molecular Weight234.33 g/mol
Exact Mass234.19
IUPAC Name(5S)-6,6-difluoro-2-propan-2-yl-2,9-diazaspiro[4.5]decane;methane
SMILESC.CC(C)N1CC[C@]2(CNCCC2(F)F)C1
InChIInChI=1S/C11H20F2N2.CH4/c1-9(2)15-6-4-10(8-15)7-14-5-3-11(10,12)13;/h9,14H,3-8H2,1-2H3;1H4/t10-;/m0./s1
InChIKeyACAKNQZFXXLLPE-PPHPATTJSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.35
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-propan-2-yl-2,9-diazaspiro[4.5]decane;methane?
The IUPAC name of (5S)-6,6-difluoro-2-propan-2-yl-2,9-diazaspiro[4.5]decane;methane (CID 167531970) is (5S)-6,6-difluoro-2-propan-2-yl-2,9-diazaspiro[4.5]decane;methane.
What is the SMILES notation for (5S)-6,6-difluoro-2-propan-2-yl-2,9-diazaspiro[4.5]decane;methane?
The canonical SMILES for (5S)-6,6-difluoro-2-propan-2-yl-2,9-diazaspiro[4.5]decane;methane is C.CC(C)N1CC[C@]2(CNCCC2(F)F)C1.
What is the InChIKey of (5S)-6,6-difluoro-2-propan-2-yl-2,9-diazaspiro[4.5]decane;methane?
The InChIKey is ACAKNQZFXXLLPE-PPHPATTJSA-N. The full InChI is InChI=1S/C11H20F2N2.CH4/c1-9(2)15-6-4-10(8-15)7-14-5-3-11(10,12)13;/h9,14H,3-8H2,1-2H3;1H4/t10-;/m0./s1.
What are the key properties of (5S)-6,6-difluoro-2-propan-2-yl-2,9-diazaspiro[4.5]decane;methane?
(5S)-6,6-difluoro-2-propan-2-yl-2,9-diazaspiro[4.5]decane;methane has a molecular weight of 234.33 g/mol, XLogP of 2.35, 1 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-propan-2-yl-2,9-diazaspiro[4.5]decane;methane is sourced from PubChem (CID 167531970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).