10,10-difluoro-3-methylidene-8-propyl-8-azaspiro[4.5]decane;ethane

C15H27F2N — CID 154670349

IUPAC10,10-difluoro-3-methylidene-8-propyl-8-azaspiro[4.5]decane;ethane
SMILESC=C1CCC2(CCN(CCC)CC2(F)F)C1.CC
InChIInChI=1S/C13H21F2N.C2H6/c1-3-7-16-8-6-12(13(14,15)10-16)5-4-11(2)9-12;1-2/h2-10H2,1H3;1-2H3
InChIKeyGTUHHQZLERXHSA-UHFFFAOYSA-N
MW259.38 g/mol
LogP4.49
Rot. Bonds2

About 10,10-difluoro-3-methylidene-8-propyl-8-azaspiro[4.5]decane;ethane

10,10-difluoro-3-methylidene-8-propyl-8-azaspiro[4.5]decane;ethane (PubChem CID 154670349) has the molecular formula C15H27F2N and a molecular weight of 259.38 g/mol. Its IUPAC name is 10,10-difluoro-3-methylidene-8-propyl-8-azaspiro[4.5]decane;ethane.

Molecular Properties

Compound Name10,10-difluoro-3-methylidene-8-propyl-8-azaspiro[4.5]decane;ethane
PubChem CID154670349
Molecular FormulaC15H27F2N
Molecular Weight259.38 g/mol
Exact Mass259.21
IUPAC Name10,10-difluoro-3-methylidene-8-propyl-8-azaspiro[4.5]decane;ethane
SMILESC=C1CCC2(CCN(CCC)CC2(F)F)C1.CC
InChIInChI=1S/C13H21F2N.C2H6/c1-3-7-16-8-6-12(13(14,15)10-16)5-4-11(2)9-12;1-2/h2-10H2,1H3;1-2H3
InChIKeyGTUHHQZLERXHSA-UHFFFAOYSA-N
XLogP4.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2-Difluoro-5-methyl-4-prop-1-en-2-yl-5-azaspiro[2.5]octane
CID 163675783
5-Ethyl-2,2-difluoro-4-prop-1-en-2-yl-5-azaspiro[2.5]octane
CID 169977756
(4E)-4-(fluoromethylidene)-1,3-dimethyl-3-propan-2-ylpiperidine
CID 176568518
(3S)-4-(difluoromethylidene)-3-ethyl-1,3-dimethylpiperidine
CID 176919471
1-(2,2-Difluoro-3-methylbut-3-enyl)-4-methyl-4-(trifluoromethyl)piperidine
CID 177030667
4-(1,1-Difluoropropyl)-1-(2-fluorobutyl)-4-prop-1-en-2-ylpiperidine
CID 177031700
(1S,5R)-6-(2-methylprop-2-enyl)-3-(4,4,4-trifluorobutyl)-3-azabicyclo[3.1.0]hexane
CID 177148486
(2E)-2-(fluoromethylidene)-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene
CID 177161653
3-Fluoro-1-methyl-3-prop-1-en-2-ylpiperidine
CID 177187453
(3S,5Z)-5-(fluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine
CID 178101244
(3S)-1-ethyl-4-(fluoromethyl)-3-methyl-3-(2-methylprop-2-enyl)piperidine
CID 178101491
(3S)-5-(difluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine
CID 178101598

Frequently Asked Questions

What is the IUPAC name of 10,10-difluoro-3-methylidene-8-propyl-8-azaspiro[4.5]decane;ethane?
The IUPAC name of 10,10-difluoro-3-methylidene-8-propyl-8-azaspiro[4.5]decane;ethane (CID 154670349) is 10,10-difluoro-3-methylidene-8-propyl-8-azaspiro[4.5]decane;ethane.
What is the SMILES notation for 10,10-difluoro-3-methylidene-8-propyl-8-azaspiro[4.5]decane;ethane?
The canonical SMILES for 10,10-difluoro-3-methylidene-8-propyl-8-azaspiro[4.5]decane;ethane is C=C1CCC2(CCN(CCC)CC2(F)F)C1.CC.
What is the InChIKey of 10,10-difluoro-3-methylidene-8-propyl-8-azaspiro[4.5]decane;ethane?
The InChIKey is GTUHHQZLERXHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N.C2H6/c1-3-7-16-8-6-12(13(14,15)10-16)5-4-11(2)9-12;1-2/h2-10H2,1H3;1-2H3.
What are the key properties of 10,10-difluoro-3-methylidene-8-propyl-8-azaspiro[4.5]decane;ethane?
10,10-difluoro-3-methylidene-8-propyl-8-azaspiro[4.5]decane;ethane has a molecular weight of 259.38 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-difluoro-3-methylidene-8-propyl-8-azaspiro[4.5]decane;ethane is sourced from PubChem (CID 154670349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).