1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.4]octan-2-yl)ethanol

C10H18F2N2O — CID 157032202

IUPAC1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.4]octan-2-yl)ethanol
SMILESCCN1CC(F)(F)C2(C1)CN(C(C)O)C2
InChIInChI=1S/C10H18F2N2O/c1-3-13-4-9(10(11,12)7-13)5-14(6-9)8(2)15/h8,15H,3-7H2,1-2H3
InChIKeyOZMPTMKRBUUOHF-UHFFFAOYSA-N
MW220.26 g/mol
LogP0.60
Rot. Bonds2

About 1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.4]octan-2-yl)ethanol

1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.4]octan-2-yl)ethanol (PubChem CID 157032202) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.4]octan-2-yl)ethanol.

Molecular Properties

Compound Name1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.4]octan-2-yl)ethanol
PubChem CID157032202
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.4]octan-2-yl)ethanol
SMILESCCN1CC(F)(F)C2(C1)CN(C(C)O)C2
InChIInChI=1S/C10H18F2N2O/c1-3-13-4-9(10(11,12)7-13)5-14(6-9)8(2)15/h8,15H,3-7H2,1-2H3
InChIKeyOZMPTMKRBUUOHF-UHFFFAOYSA-N
XLogP0.60
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.4]octan-2-yl)ethanol?
The IUPAC name of 1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.4]octan-2-yl)ethanol (CID 157032202) is 1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.4]octan-2-yl)ethanol.
What is the SMILES notation for 1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.4]octan-2-yl)ethanol?
The canonical SMILES for 1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.4]octan-2-yl)ethanol is CCN1CC(F)(F)C2(C1)CN(C(C)O)C2.
What is the InChIKey of 1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.4]octan-2-yl)ethanol?
The InChIKey is OZMPTMKRBUUOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-3-13-4-9(10(11,12)7-13)5-14(6-9)8(2)15/h8,15H,3-7H2,1-2H3.
What are the key properties of 1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.4]octan-2-yl)ethanol?
1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.4]octan-2-yl)ethanol has a molecular weight of 220.26 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.4]octan-2-yl)ethanol is sourced from PubChem (CID 157032202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).