8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane

C13H24F2N2 — CID 176558132

IUPAC8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCCN1CCC2(CCN(C(C)C)C2)C(F)(F)C1
InChIInChI=1S/C13H24F2N2/c1-4-16-7-5-12(13(14,15)10-16)6-8-17(9-12)11(2)3/h11H,4-10H2,1-3H3
InChIKeyIXROXJPSGPVYRO-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.45
Rot. Bonds2

About 8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane

8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 176558132) has the molecular formula C13H24F2N2 and a molecular weight of 246.34 g/mol. Its IUPAC name is 8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID176558132
Molecular FormulaC13H24F2N2
Molecular Weight246.34 g/mol
Exact Mass246.19
IUPAC Name8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCCN1CCC2(CCN(C(C)C)C2)C(F)(F)C1
InChIInChI=1S/C13H24F2N2/c1-4-16-7-5-12(13(14,15)10-16)6-8-17(9-12)11(2)3/h11H,4-10H2,1-3H3
InChIKeyIXROXJPSGPVYRO-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane (CID 176558132) is 8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane is CCN1CCC2(CCN(C(C)C)C2)C(F)(F)C1.
What is the InChIKey of 8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is IXROXJPSGPVYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2/c1-4-16-7-5-12(13(14,15)10-16)6-8-17(9-12)11(2)3/h11H,4-10H2,1-3H3.
What are the key properties of 8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 246.34 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 176558132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).