2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane

C11H19F3N2 — CID 56705019

IUPAC2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane
SMILESFC(F)(F)CCN1CCC2(CCNCC2)C1
InChIInChI=1S/C11H19F3N2/c12-11(13,14)4-8-16-7-3-10(9-16)1-5-15-6-2-10/h15H,1-9H2
InChIKeyGVBUIAHGCLNWFW-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.01
Rot. Bonds2

About 2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane

2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane (PubChem CID 56705019) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane
PubChem CID56705019
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane
SMILESFC(F)(F)CCN1CCC2(CCNCC2)C1
InChIInChI=1S/C11H19F3N2/c12-11(13,14)4-8-16-7-3-10(9-16)1-5-15-6-2-10/h15H,1-9H2
InChIKeyGVBUIAHGCLNWFW-UHFFFAOYSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane (CID 56705019) is 2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane is FC(F)(F)CCN1CCC2(CCNCC2)C1.
What is the InChIKey of 2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is GVBUIAHGCLNWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c12-11(13,14)4-8-16-7-3-10(9-16)1-5-15-6-2-10/h15H,1-9H2.
What are the key properties of 2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane?
2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 236.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 56705019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).