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

C16H27F3N2 — CID 64875914

IUPAC3-cyclopropyl-3-methyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane
SMILESCC1(C2CC2)CNC2(CCCCC2)CN1CCC(F)(F)F
InChIInChI=1S/C16H27F3N2/c1-14(13-5-6-13)11-20-15(7-3-2-4-8-15)12-21(14)10-9-16(17,18)19/h13,20H,2-12H2,1H3
InChIKeyHSQYYWUHSOEXFS-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.72
Rot. Bonds3

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

3-cyclopropyl-3-methyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64875914) has the molecular formula C16H27F3N2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 3-cyclopropyl-3-methyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-cyclopropyl-3-methyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64875914
Molecular FormulaC16H27F3N2
Molecular Weight304.40 g/mol
Exact Mass304.21
IUPAC Name3-cyclopropyl-3-methyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane
SMILESCC1(C2CC2)CNC2(CCCCC2)CN1CCC(F)(F)F
InChIInChI=1S/C16H27F3N2/c1-14(13-5-6-13)11-20-15(7-3-2-4-8-15)12-21(14)10-9-16(17,18)19/h13,20H,2-12H2,1H3
InChIKeyHSQYYWUHSOEXFS-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-cyclopropyl-3-methyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane (CID 64875914) is 3-cyclopropyl-3-methyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-cyclopropyl-3-methyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-cyclopropyl-3-methyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane is CC1(C2CC2)CNC2(CCCCC2)CN1CCC(F)(F)F.
What is the InChIKey of 3-cyclopropyl-3-methyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is HSQYYWUHSOEXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N2/c1-14(13-5-6-13)11-20-15(7-3-2-4-8-15)12-21(14)10-9-16(17,18)19/h13,20H,2-12H2,1H3.
What are the key properties of 3-cyclopropyl-3-methyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane?
3-cyclopropyl-3-methyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 304.40 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-methyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64875914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).