5-(2-aminoethoxy)-3,3-difluoropentan-1-amine;ethane

C9H22F2N2O — CID 142409600

IUPAC5-(2-aminoethoxy)-3,3-difluoropentan-1-amine;ethane
SMILESCC.NCCOCCC(F)(F)CCN
InChIInChI=1S/C7H16F2N2O.C2H6/c8-7(9,1-3-10)2-5-12-6-4-11;1-2/h1-6,10-11H2;1-2H3
InChIKeyGIGKERRVTJXNIH-UHFFFAOYSA-N
MW212.28 g/mol
LogP1.36
Rot. Bonds7

About 5-(2-aminoethoxy)-3,3-difluoropentan-1-amine;ethane

5-(2-aminoethoxy)-3,3-difluoropentan-1-amine;ethane (PubChem CID 142409600) has the molecular formula C9H22F2N2O and a molecular weight of 212.28 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-3,3-difluoropentan-1-amine;ethane.

Molecular Properties

Compound Name5-(2-aminoethoxy)-3,3-difluoropentan-1-amine;ethane
PubChem CID142409600
Molecular FormulaC9H22F2N2O
Molecular Weight212.28 g/mol
Exact Mass212.17
IUPAC Name5-(2-aminoethoxy)-3,3-difluoropentan-1-amine;ethane
SMILESCC.NCCOCCC(F)(F)CCN
InChIInChI=1S/C7H16F2N2O.C2H6/c8-7(9,1-3-10)2-5-12-6-4-11;1-2/h1-6,10-11H2;1-2H3
InChIKeyGIGKERRVTJXNIH-UHFFFAOYSA-N
XLogP1.36
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2-aminoethoxy)-3,3-difluoropentan-1-amine;ethane 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 5-(2-aminoethoxy)-3,3-difluoropentan-1-amine;ethane?
The IUPAC name of 5-(2-aminoethoxy)-3,3-difluoropentan-1-amine;ethane (CID 142409600) is 5-(2-aminoethoxy)-3,3-difluoropentan-1-amine;ethane.
What is the SMILES notation for 5-(2-aminoethoxy)-3,3-difluoropentan-1-amine;ethane?
The canonical SMILES for 5-(2-aminoethoxy)-3,3-difluoropentan-1-amine;ethane is CC.NCCOCCC(F)(F)CCN.
What is the InChIKey of 5-(2-aminoethoxy)-3,3-difluoropentan-1-amine;ethane?
The InChIKey is GIGKERRVTJXNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F2N2O.C2H6/c8-7(9,1-3-10)2-5-12-6-4-11;1-2/h1-6,10-11H2;1-2H3.
What are the key properties of 5-(2-aminoethoxy)-3,3-difluoropentan-1-amine;ethane?
5-(2-aminoethoxy)-3,3-difluoropentan-1-amine;ethane has a molecular weight of 212.28 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-3,3-difluoropentan-1-amine;ethane is sourced from PubChem (CID 142409600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).