3-cyclopropyl-4-(2,2-difluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane

C15H26F2N2 — CID 64878411

IUPAC3-cyclopropyl-4-(2,2-difluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCC1(C2CC2)CNC2(CCCCC2)CN1CC(F)F
InChIInChI=1S/C15H26F2N2/c1-14(12-5-6-12)10-18-15(7-3-2-4-8-15)11-19(14)9-13(16)17/h12-13,18H,2-11H2,1H3
InChIKeyZJBVSMNEYLHAJX-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.03
Rot. Bonds3

About 3-cyclopropyl-4-(2,2-difluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane

3-cyclopropyl-4-(2,2-difluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane (PubChem CID 64878411) has the molecular formula C15H26F2N2 and a molecular weight of 272.38 g/mol. Its IUPAC name is 3-cyclopropyl-4-(2,2-difluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-cyclopropyl-4-(2,2-difluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane
PubChem CID64878411
Molecular FormulaC15H26F2N2
Molecular Weight272.38 g/mol
Exact Mass272.21
IUPAC Name3-cyclopropyl-4-(2,2-difluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCC1(C2CC2)CNC2(CCCCC2)CN1CC(F)F
InChIInChI=1S/C15H26F2N2/c1-14(12-5-6-12)10-18-15(7-3-2-4-8-15)11-19(14)9-13(16)17/h12-13,18H,2-11H2,1H3
InChIKeyZJBVSMNEYLHAJX-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-(2,2-difluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-cyclopropyl-4-(2,2-difluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane (CID 64878411) is 3-cyclopropyl-4-(2,2-difluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-cyclopropyl-4-(2,2-difluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-cyclopropyl-4-(2,2-difluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane is CC1(C2CC2)CNC2(CCCCC2)CN1CC(F)F.
What is the InChIKey of 3-cyclopropyl-4-(2,2-difluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is ZJBVSMNEYLHAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2/c1-14(12-5-6-12)10-18-15(7-3-2-4-8-15)11-19(14)9-13(16)17/h12-13,18H,2-11H2,1H3.
What are the key properties of 3-cyclopropyl-4-(2,2-difluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
3-cyclopropyl-4-(2,2-difluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 272.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(2,2-difluoroethyl)-3-methyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64878411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).