ethane;2-ethyl-7-fluoro-7-methyl-2-azaspiro[3.5]nonane

C13H26FN — CID 168970742

IUPACethane;2-ethyl-7-fluoro-7-methyl-2-azaspiro[3.5]nonane
SMILESCC.CCN1CC2(CCC(C)(F)CC2)C1
InChIInChI=1S/C11H20FN.C2H6/c1-3-13-8-11(9-13)6-4-10(2,12)5-7-11;1-2/h3-9H2,1-2H3;1-2H3
InChIKeyPBQVNCJTOGOCHQ-UHFFFAOYSA-N
MW215.36 g/mol
LogP3.64
Rot. Bonds1

About ethane;2-ethyl-7-fluoro-7-methyl-2-azaspiro[3.5]nonane

ethane;2-ethyl-7-fluoro-7-methyl-2-azaspiro[3.5]nonane (PubChem CID 168970742) has the molecular formula C13H26FN and a molecular weight of 215.36 g/mol. Its IUPAC name is ethane;2-ethyl-7-fluoro-7-methyl-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;2-ethyl-7-fluoro-7-methyl-2-azaspiro[3.5]nonane
PubChem CID168970742
Molecular FormulaC13H26FN
Molecular Weight215.36 g/mol
Exact Mass215.20
IUPAC Nameethane;2-ethyl-7-fluoro-7-methyl-2-azaspiro[3.5]nonane
SMILESCC.CCN1CC2(CCC(C)(F)CC2)C1
InChIInChI=1S/C11H20FN.C2H6/c1-3-13-8-11(9-13)6-4-10(2,12)5-7-11;1-2/h3-9H2,1-2H3;1-2H3
InChIKeyPBQVNCJTOGOCHQ-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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ethane;2-ethyl-7-pentyl-2,7-diazaspiro[3.5]nonane
CID 171554465
ethane;2-ethyl-7-pent-2-ynyl-2,7-diazaspiro[3.5]nonane
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CID 163239079
1-fluoro-1-methylcyclopropane
CID 18684623
ethane;2-ethyl-8-methyl-2,8-diazaspiro[3.5]nonane
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2-ethyl-7-methyl-2,7-diazaspiro[3.4]octane
CID 59304538
ethane;2-ethyl-7-propan-2-yl-2,7-diazaspiro[3.4]octane
CID 156798626
2-cyclopropyl-7-ethyl-2,7-diazaspiro[4.4]nonane
CID 145006598
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CID 164540860

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-7-fluoro-7-methyl-2-azaspiro[3.5]nonane?
The IUPAC name of ethane;2-ethyl-7-fluoro-7-methyl-2-azaspiro[3.5]nonane (CID 168970742) is ethane;2-ethyl-7-fluoro-7-methyl-2-azaspiro[3.5]nonane.
What is the SMILES notation for ethane;2-ethyl-7-fluoro-7-methyl-2-azaspiro[3.5]nonane?
The canonical SMILES for ethane;2-ethyl-7-fluoro-7-methyl-2-azaspiro[3.5]nonane is CC.CCN1CC2(CCC(C)(F)CC2)C1.
What is the InChIKey of ethane;2-ethyl-7-fluoro-7-methyl-2-azaspiro[3.5]nonane?
The InChIKey is PBQVNCJTOGOCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN.C2H6/c1-3-13-8-11(9-13)6-4-10(2,12)5-7-11;1-2/h3-9H2,1-2H3;1-2H3.
What are the key properties of ethane;2-ethyl-7-fluoro-7-methyl-2-azaspiro[3.5]nonane?
ethane;2-ethyl-7-fluoro-7-methyl-2-azaspiro[3.5]nonane has a molecular weight of 215.36 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-7-fluoro-7-methyl-2-azaspiro[3.5]nonane is sourced from PubChem (CID 168970742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).