ethane;8-ethyl-4,4-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane

C15H30F2N2 — CID 176558189

IUPACethane;8-ethyl-4,4-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCC.CCN1CCC2(CC1)CN(C(C)C)CC2(F)F
InChIInChI=1S/C13H24F2N2.C2H6/c1-4-16-7-5-12(6-8-16)9-17(11(2)3)10-13(12,14)15;1-2/h11H,4-10H2,1-3H3;1-2H3
InChIKeyYJFCAGPSOUEKIG-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.47
Rot. Bonds2

About ethane;8-ethyl-4,4-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane

ethane;8-ethyl-4,4-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 176558189) has the molecular formula C15H30F2N2 and a molecular weight of 276.41 g/mol. Its IUPAC name is ethane;8-ethyl-4,4-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Nameethane;8-ethyl-4,4-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID176558189
Molecular FormulaC15H30F2N2
Molecular Weight276.41 g/mol
Exact Mass276.24
IUPAC Nameethane;8-ethyl-4,4-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCC.CCN1CCC2(CC1)CN(C(C)C)CC2(F)F
InChIInChI=1S/C13H24F2N2.C2H6/c1-4-16-7-5-12(6-8-16)9-17(11(2)3)10-13(12,14)15;1-2/h11H,4-10H2,1-3H3;1-2H3
InChIKeyYJFCAGPSOUEKIG-UHFFFAOYSA-N
XLogP3.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;8-ethyl-4,4-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;8-ethyl-4,4-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of ethane;8-ethyl-4,4-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane (CID 176558189) is ethane;8-ethyl-4,4-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for ethane;8-ethyl-4,4-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for ethane;8-ethyl-4,4-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane is CC.CCN1CCC2(CC1)CN(C(C)C)CC2(F)F.
What is the InChIKey of ethane;8-ethyl-4,4-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is YJFCAGPSOUEKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2.C2H6/c1-4-16-7-5-12(6-8-16)9-17(11(2)3)10-13(12,14)15;1-2/h11H,4-10H2,1-3H3;1-2H3.
What are the key properties of ethane;8-ethyl-4,4-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
ethane;8-ethyl-4,4-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 276.41 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-ethyl-4,4-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 176558189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).