N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.3]heptan-1-amine

C13H23F2NO2 — CID 103082700

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.3]heptan-1-amine
SMILESCCOC1CC(NCCOCC(F)F)C12CCC2
InChIInChI=1S/C13H23F2NO2/c1-2-18-11-8-10(13(11)4-3-5-13)16-6-7-17-9-12(14)15/h10-12,16H,2-9H2,1H3
InChIKeyYRSQMDKCUGFVIL-UHFFFAOYSA-N
MW263.33 g/mol
LogP2.21
Rot. Bonds8

About N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.3]heptan-1-amine

N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.3]heptan-1-amine (PubChem CID 103082700) has the molecular formula C13H23F2NO2 and a molecular weight of 263.33 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.3]heptan-1-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.3]heptan-1-amine
PubChem CID103082700
Molecular FormulaC13H23F2NO2
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.3]heptan-1-amine
SMILESCCOC1CC(NCCOCC(F)F)C12CCC2
InChIInChI=1S/C13H23F2NO2/c1-2-18-11-8-10(13(11)4-3-5-13)16-6-7-17-9-12(14)15/h10-12,16H,2-9H2,1H3
InChIKeyYRSQMDKCUGFVIL-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-difluoroethoxy)ethyl]-3-ethoxyspiro[3.3]heptan-1-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.3]heptan-1-amine (CID 103082700) is N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.3]heptan-1-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.3]heptan-1-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.3]heptan-1-amine is CCOC1CC(NCCOCC(F)F)C12CCC2.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.3]heptan-1-amine?
The InChIKey is YRSQMDKCUGFVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO2/c1-2-18-11-8-10(13(11)4-3-5-13)16-6-7-17-9-12(14)15/h10-12,16H,2-9H2,1H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.3]heptan-1-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.3]heptan-1-amine has a molecular weight of 263.33 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-3-ethoxyspiro[3.3]heptan-1-amine is sourced from PubChem (CID 103082700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).