N-(3,3,3-trifluoropropyl)-1,9-dioxaspiro[5.5]undecan-4-amine

C12H20F3NO2 — CID 79904184

IUPACN-(3,3,3-trifluoropropyl)-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESFC(F)(F)CCNC1CCOC2(CCOCC2)C1
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)2-5-16-10-1-6-18-11(9-10)3-7-17-8-4-11/h10,16H,1-9H2
InChIKeyIHXOXIZMPPOXMA-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.26
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)-1,9-dioxaspiro[5.5]undecan-4-amine

N-(3,3,3-trifluoropropyl)-1,9-dioxaspiro[5.5]undecan-4-amine (PubChem CID 79904184) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)-1,9-dioxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)-1,9-dioxaspiro[5.5]undecan-4-amine
PubChem CID79904184
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC NameN-(3,3,3-trifluoropropyl)-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESFC(F)(F)CCNC1CCOC2(CCOCC2)C1
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)2-5-16-10-1-6-18-11(9-10)3-7-17-8-4-11/h10,16H,1-9H2
InChIKeyIHXOXIZMPPOXMA-UHFFFAOYSA-N
XLogP2.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,3,3-trifluoropropyl)-1,9-dioxaspiro[5.5]undecan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)-1,9-dioxaspiro[5.5]undecan-4-amine (CID 79904184) is N-(3,3,3-trifluoropropyl)-1,9-dioxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)-1,9-dioxaspiro[5.5]undecan-4-amine is FC(F)(F)CCNC1CCOC2(CCOCC2)C1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The InChIKey is IHXOXIZMPPOXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c13-12(14,15)2-5-16-10-1-6-18-11(9-10)3-7-17-8-4-11/h10,16H,1-9H2.
What are the key properties of N-(3,3,3-trifluoropropyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
N-(3,3,3-trifluoropropyl)-1,9-dioxaspiro[5.5]undecan-4-amine has a molecular weight of 267.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)-1,9-dioxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79904184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).