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

C9H26F2N2O — CID 176551876

IUPAC5-(2-aminoethoxy)-3,3-difluoropentan-1-amine;ethane;molecular hydrogen
SMILESCC.NCCOCCC(F)(F)CCN.[H][H].[H][H]
InChIInChI=1S/C7H16F2N2O.C2H6.2H2/c8-7(9,1-3-10)2-5-12-6-4-11;1-2;;/h1-6,10-11H2;1-2H3;2*1H
InChIKeyKTOIPXSNLFCVQG-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.85
Rot. Bonds7

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

5-(2-aminoethoxy)-3,3-difluoropentan-1-amine;ethane;molecular hydrogen (PubChem CID 176551876) has the molecular formula C9H26F2N2O and a molecular weight of 216.32 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-3,3-difluoropentan-1-amine;ethane;molecular hydrogen.

Molecular Properties

Compound Name5-(2-aminoethoxy)-3,3-difluoropentan-1-amine;ethane;molecular hydrogen
PubChem CID176551876
Molecular FormulaC9H26F2N2O
Molecular Weight216.32 g/mol
Exact Mass216.20
IUPAC Name5-(2-aminoethoxy)-3,3-difluoropentan-1-amine;ethane;molecular hydrogen
SMILESCC.NCCOCCC(F)(F)CCN.[H][H].[H][H]
InChIInChI=1S/C7H16F2N2O.C2H6.2H2/c8-7(9,1-3-10)2-5-12-6-4-11;1-2;;/h1-6,10-11H2;1-2H3;2*1H
InChIKeyKTOIPXSNLFCVQG-UHFFFAOYSA-N
XLogP1.85
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
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 5-(2-aminoethoxy)-3,3-difluoropentan-1-amine;ethane;molecular hydrogen?
The IUPAC name of 5-(2-aminoethoxy)-3,3-difluoropentan-1-amine;ethane;molecular hydrogen (CID 176551876) is 5-(2-aminoethoxy)-3,3-difluoropentan-1-amine;ethane;molecular hydrogen.
What is the SMILES notation for 5-(2-aminoethoxy)-3,3-difluoropentan-1-amine;ethane;molecular hydrogen?
The canonical SMILES for 5-(2-aminoethoxy)-3,3-difluoropentan-1-amine;ethane;molecular hydrogen is CC.NCCOCCC(F)(F)CCN.[H][H].[H][H].
What is the InChIKey of 5-(2-aminoethoxy)-3,3-difluoropentan-1-amine;ethane;molecular hydrogen?
The InChIKey is KTOIPXSNLFCVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F2N2O.C2H6.2H2/c8-7(9,1-3-10)2-5-12-6-4-11;1-2;;/h1-6,10-11H2;1-2H3;2*1H.
What are the key properties of 5-(2-aminoethoxy)-3,3-difluoropentan-1-amine;ethane;molecular hydrogen?
5-(2-aminoethoxy)-3,3-difluoropentan-1-amine;ethane;molecular hydrogen has a molecular weight of 216.32 g/mol, XLogP of 1.85, 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;molecular hydrogen is sourced from PubChem (CID 176551876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).