1-[4,4-difluoro-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one

C16H28F2N2O — CID 176559240

IUPAC1-[4,4-difluoro-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one
SMILESCC(C)CN1CC(F)(F)C2(CCN(C(=O)C(C)C)CC2)C1
InChIInChI=1S/C16H28F2N2O/c1-12(2)9-19-10-15(16(17,18)11-19)5-7-20(8-6-15)14(21)13(3)4/h12-13H,5-11H2,1-4H3
InChIKeyBPJMRFIHBYILQF-UHFFFAOYSA-N
MW302.41 g/mol
LogP2.86
Rot. Bonds3

About 1-[4,4-difluoro-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one

1-[4,4-difluoro-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one (PubChem CID 176559240) has the molecular formula C16H28F2N2O and a molecular weight of 302.41 g/mol. Its IUPAC name is 1-[4,4-difluoro-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4,4-difluoro-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one
PubChem CID176559240
Molecular FormulaC16H28F2N2O
Molecular Weight302.41 g/mol
Exact Mass302.22
IUPAC Name1-[4,4-difluoro-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one
SMILESCC(C)CN1CC(F)(F)C2(CCN(C(=O)C(C)C)CC2)C1
InChIInChI=1S/C16H28F2N2O/c1-12(2)9-19-10-15(16(17,18)11-19)5-7-20(8-6-15)14(21)13(3)4/h12-13H,5-11H2,1-4H3
InChIKeyBPJMRFIHBYILQF-UHFFFAOYSA-N
XLogP2.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4,4-difluoro-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4,4-difluoro-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one (CID 176559240) is 1-[4,4-difluoro-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4,4-difluoro-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4,4-difluoro-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one is CC(C)CN1CC(F)(F)C2(CCN(C(=O)C(C)C)CC2)C1.
What is the InChIKey of 1-[4,4-difluoro-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one?
The InChIKey is BPJMRFIHBYILQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F2N2O/c1-12(2)9-19-10-15(16(17,18)11-19)5-7-20(8-6-15)14(21)13(3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-[4,4-difluoro-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one?
1-[4,4-difluoro-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one has a molecular weight of 302.41 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-difluoro-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one is sourced from PubChem (CID 176559240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).