3-propyl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane

C14H25F3N2 — CID 64838633

IUPAC3-propyl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane
SMILESCCCC1CN(CC(F)(F)F)C2(CCCCC2)CN1
InChIInChI=1S/C14H25F3N2/c1-2-6-12-9-19(11-14(15,16)17)13(10-18-12)7-4-3-5-8-13/h12,18H,2-11H2,1H3
InChIKeyXJUJPCBSZFHHEE-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.33
Rot. Bonds3

About 3-propyl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane

3-propyl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64838633) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-propyl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-propyl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64838633
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC Name3-propyl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane
SMILESCCCC1CN(CC(F)(F)F)C2(CCCCC2)CN1
InChIInChI=1S/C14H25F3N2/c1-2-6-12-9-19(11-14(15,16)17)13(10-18-12)7-4-3-5-8-13/h12,18H,2-11H2,1H3
InChIKeyXJUJPCBSZFHHEE-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-propyl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane (CID 64838633) is 3-propyl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-propyl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-propyl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane is CCCC1CN(CC(F)(F)F)C2(CCCCC2)CN1.
What is the InChIKey of 3-propyl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is XJUJPCBSZFHHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-2-6-12-9-19(11-14(15,16)17)13(10-18-12)7-4-3-5-8-13/h12,18H,2-11H2,1H3.
What are the key properties of 3-propyl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane?
3-propyl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 278.36 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64838633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).