4-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane

C11H20F2N2 — CID 64833664

IUPAC4-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane
SMILESFC(F)CN1CCNC2(CCCCC2)C1
InChIInChI=1S/C11H20F2N2/c12-10(13)8-15-7-6-14-11(9-15)4-2-1-3-5-11/h10,14H,1-9H2
InChIKeyKUGYHGDMPLPNGP-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.86
Rot. Bonds2

About 4-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane

4-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64833664) has the molecular formula C11H20F2N2 and a molecular weight of 218.29 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64833664
Molecular FormulaC11H20F2N2
Molecular Weight218.29 g/mol
Exact Mass218.16
IUPAC Name4-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane
SMILESFC(F)CN1CCNC2(CCCCC2)C1
InChIInChI=1S/C11H20F2N2/c12-10(13)8-15-7-6-14-11(9-15)4-2-1-3-5-11/h10,14H,1-9H2
InChIKeyKUGYHGDMPLPNGP-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane (CID 64833664) is 4-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane is FC(F)CN1CCNC2(CCCCC2)C1.
What is the InChIKey of 4-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is KUGYHGDMPLPNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2/c12-10(13)8-15-7-6-14-11(9-15)4-2-1-3-5-11/h10,14H,1-9H2.
What are the key properties of 4-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane?
4-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 218.29 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64833664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).