1-(2,2-difluoroethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane

C14H26F2N2 — CID 64839272

IUPAC1-(2,2-difluoroethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
SMILESCC(C)C1CN(CC(F)F)C2(CCCCC2)CN1
InChIInChI=1S/C14H26F2N2/c1-11(2)12-8-18(9-13(15)16)14(10-17-12)6-4-3-5-7-14/h11-13,17H,3-10H2,1-2H3
InChIKeyGNKJYNYTYGPJKZ-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.88
Rot. Bonds3

About 1-(2,2-difluoroethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane

1-(2,2-difluoroethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane (PubChem CID 64839272) has the molecular formula C14H26F2N2 and a molecular weight of 260.37 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
PubChem CID64839272
Molecular FormulaC14H26F2N2
Molecular Weight260.37 g/mol
Exact Mass260.21
IUPAC Name1-(2,2-difluoroethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
SMILESCC(C)C1CN(CC(F)F)C2(CCCCC2)CN1
InChIInChI=1S/C14H26F2N2/c1-11(2)12-8-18(9-13(15)16)14(10-17-12)6-4-3-5-7-14/h11-13,17H,3-10H2,1-2H3
InChIKeyGNKJYNYTYGPJKZ-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-(2,2-difluoroethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane (CID 64839272) is 1-(2,2-difluoroethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane is CC(C)C1CN(CC(F)F)C2(CCCCC2)CN1.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The InChIKey is GNKJYNYTYGPJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2/c1-11(2)12-8-18(9-13(15)16)14(10-17-12)6-4-3-5-7-14/h11-13,17H,3-10H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
1-(2,2-difluoroethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane has a molecular weight of 260.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64839272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).