ethane;1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one

C14H26F2N2O — CID 176558724

IUPACethane;1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one
SMILESCC.CCC(=O)N1CC2(CCN(CC)CC2(F)F)C1
InChIInChI=1S/C12H20F2N2O.C2H6/c1-3-10(17)16-7-11(8-16)5-6-15(4-2)9-12(11,13)14;1-2/h3-9H2,1-2H3;1-2H3
InChIKeyNSGMTADQRJRSJV-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.61
Rot. Bonds2

About ethane;1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one

ethane;1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one (PubChem CID 176558724) has the molecular formula C14H26F2N2O and a molecular weight of 276.37 g/mol. Its IUPAC name is ethane;1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one.

Molecular Properties

Compound Nameethane;1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one
PubChem CID176558724
Molecular FormulaC14H26F2N2O
Molecular Weight276.37 g/mol
Exact Mass276.20
IUPAC Nameethane;1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one
SMILESCC.CCC(=O)N1CC2(CCN(CC)CC2(F)F)C1
InChIInChI=1S/C12H20F2N2O.C2H6/c1-3-10(17)16-7-11(8-16)5-6-15(4-2)9-12(11,13)14;1-2/h3-9H2,1-2H3;1-2H3
InChIKeyNSGMTADQRJRSJV-UHFFFAOYSA-N
XLogP2.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one?
The IUPAC name of ethane;1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one (CID 176558724) is ethane;1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one.
What is the SMILES notation for ethane;1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one?
The canonical SMILES for ethane;1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one is CC.CCC(=O)N1CC2(CCN(CC)CC2(F)F)C1.
What is the InChIKey of ethane;1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one?
The InChIKey is NSGMTADQRJRSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O.C2H6/c1-3-10(17)16-7-11(8-16)5-6-15(4-2)9-12(11,13)14;1-2/h3-9H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one?
ethane;1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one has a molecular weight of 276.37 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one is sourced from PubChem (CID 176558724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).