N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-3-amine

C13H22F3NO — CID 102951933

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-3-amine
SMILESFC(F)(F)COCCNC1CCC12CCCCC2
InChIInChI=1S/C13H22F3NO/c14-13(15,16)10-18-9-8-17-11-4-7-12(11)5-2-1-3-6-12/h11,17H,1-10H2
InChIKeyDKRPZBSQXPQDQN-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.27
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-3-amine

N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-3-amine (PubChem CID 102951933) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-3-amine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-3-amine
PubChem CID102951933
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-3-amine
SMILESFC(F)(F)COCCNC1CCC12CCCCC2
InChIInChI=1S/C13H22F3NO/c14-13(15,16)10-18-9-8-17-11-4-7-12(11)5-2-1-3-6-12/h11,17H,1-10H2
InChIKeyDKRPZBSQXPQDQN-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-3-amine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-3-amine (CID 102951933) is N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-3-amine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-3-amine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-3-amine is FC(F)(F)COCCNC1CCC12CCCCC2.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-3-amine?
The InChIKey is DKRPZBSQXPQDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c14-13(15,16)10-18-9-8-17-11-4-7-12(11)5-2-1-3-6-12/h11,17H,1-10H2.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-3-amine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-3-amine has a molecular weight of 265.32 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-3-amine is sourced from PubChem (CID 102951933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).