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

C12H21F3N2 — CID 64832467

IUPAC4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane
SMILESFC(F)(F)CCN1CCNC2(CCCCC2)C1
InChIInChI=1S/C12H21F3N2/c13-12(14,15)6-8-17-9-7-16-11(10-17)4-2-1-3-5-11/h16H,1-10H2
InChIKeyMGFIECVHCPCUCY-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.55
Rot. Bonds2

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

4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64832467) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64832467
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane
SMILESFC(F)(F)CCN1CCNC2(CCCCC2)C1
InChIInChI=1S/C12H21F3N2/c13-12(14,15)6-8-17-9-7-16-11(10-17)4-2-1-3-5-11/h16H,1-10H2
InChIKeyMGFIECVHCPCUCY-UHFFFAOYSA-N
XLogP2.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane (CID 64832467) is 4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane is FC(F)(F)CCN1CCNC2(CCCCC2)C1.
What is the InChIKey of 4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is MGFIECVHCPCUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c13-12(14,15)6-8-17-9-7-16-11(10-17)4-2-1-3-5-11/h16H,1-10H2.
What are the key properties of 4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane?
4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 250.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64832467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).