6-(2,2-difluoroethyl)-8-methyl-8-phenyl-6,9-diazaspiro[4.5]decane

C17H24F2N2 — CID 64860392

IUPAC6-(2,2-difluoroethyl)-8-methyl-8-phenyl-6,9-diazaspiro[4.5]decane
SMILESCC1(c2ccccc2)CN(CC(F)F)C2(CCCC2)CN1
InChIInChI=1S/C17H24F2N2/c1-16(14-7-3-2-4-8-14)13-21(11-15(18)19)17(12-20-16)9-5-6-10-17/h2-4,7-8,15,20H,5-6,9-13H2,1H3
InChIKeyLDOUQUQWCNKTDO-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.38
Rot. Bonds3

About 6-(2,2-difluoroethyl)-8-methyl-8-phenyl-6,9-diazaspiro[4.5]decane

6-(2,2-difluoroethyl)-8-methyl-8-phenyl-6,9-diazaspiro[4.5]decane (PubChem CID 64860392) has the molecular formula C17H24F2N2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 6-(2,2-difluoroethyl)-8-methyl-8-phenyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6-(2,2-difluoroethyl)-8-methyl-8-phenyl-6,9-diazaspiro[4.5]decane
PubChem CID64860392
Molecular FormulaC17H24F2N2
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name6-(2,2-difluoroethyl)-8-methyl-8-phenyl-6,9-diazaspiro[4.5]decane
SMILESCC1(c2ccccc2)CN(CC(F)F)C2(CCCC2)CN1
InChIInChI=1S/C17H24F2N2/c1-16(14-7-3-2-4-8-14)13-21(11-15(18)19)17(12-20-16)9-5-6-10-17/h2-4,7-8,15,20H,5-6,9-13H2,1H3
InChIKeyLDOUQUQWCNKTDO-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethyl)-8-methyl-8-phenyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 6-(2,2-difluoroethyl)-8-methyl-8-phenyl-6,9-diazaspiro[4.5]decane (CID 64860392) is 6-(2,2-difluoroethyl)-8-methyl-8-phenyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6-(2,2-difluoroethyl)-8-methyl-8-phenyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 6-(2,2-difluoroethyl)-8-methyl-8-phenyl-6,9-diazaspiro[4.5]decane is CC1(c2ccccc2)CN(CC(F)F)C2(CCCC2)CN1.
What is the InChIKey of 6-(2,2-difluoroethyl)-8-methyl-8-phenyl-6,9-diazaspiro[4.5]decane?
The InChIKey is LDOUQUQWCNKTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2/c1-16(14-7-3-2-4-8-14)13-21(11-15(18)19)17(12-20-16)9-5-6-10-17/h2-4,7-8,15,20H,5-6,9-13H2,1H3.
What are the key properties of 6-(2,2-difluoroethyl)-8-methyl-8-phenyl-6,9-diazaspiro[4.5]decane?
6-(2,2-difluoroethyl)-8-methyl-8-phenyl-6,9-diazaspiro[4.5]decane has a molecular weight of 294.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethyl)-8-methyl-8-phenyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64860392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).