N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

C14H23F3N2O2 — CID 75495416

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESFC(F)(F)CN1CCC(NC2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)10-19-6-3-12(9-19)18-11-1-4-13(5-2-11)20-7-8-21-13/h11-12,18H,1-10H2
InChIKeyFUYIAVRSXDAKGC-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.90
Rot. Bonds3

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (PubChem CID 75495416) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
PubChem CID75495416
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESFC(F)(F)CN1CCC(NC2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)10-19-6-3-12(9-19)18-11-1-4-13(5-2-11)20-7-8-21-13/h11-12,18H,1-10H2
InChIKeyFUYIAVRSXDAKGC-UHFFFAOYSA-N
XLogP1.90
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (CID 75495416) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is FC(F)(F)CN1CCC(NC2CCC3(CC2)OCCO3)C1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The InChIKey is FUYIAVRSXDAKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c15-14(16,17)10-19-6-3-12(9-19)18-11-1-4-13(5-2-11)20-7-8-21-13/h11-12,18H,1-10H2.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine has a molecular weight of 308.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is sourced from PubChem (CID 75495416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).