N-[2-(2,2-difluoroethoxy)ethyl]-2-methyloxolan-3-amine

C9H17F2NO2 — CID 103082757

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1NCCOCC(F)F
InChIInChI=1S/C9H17F2NO2/c1-7-8(2-4-14-7)12-3-5-13-6-9(10)11/h7-9,12H,2-6H2,1H3
InChIKeyCIAROWANIYJGOX-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.04
Rot. Bonds6

About N-[2-(2,2-difluoroethoxy)ethyl]-2-methyloxolan-3-amine

N-[2-(2,2-difluoroethoxy)ethyl]-2-methyloxolan-3-amine (PubChem CID 103082757) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-2-methyloxolan-3-amine
PubChem CID103082757
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1NCCOCC(F)F
InChIInChI=1S/C9H17F2NO2/c1-7-8(2-4-14-7)12-3-5-13-6-9(10)11/h7-9,12H,2-6H2,1H3
InChIKeyCIAROWANIYJGOX-UHFFFAOYSA-N
XLogP1.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.04
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]-2-methyloxolan-3-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-2-methyloxolan-3-amine (CID 103082757) is N-[2-(2,2-difluoroethoxy)ethyl]-2-methyloxolan-3-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-2-methyloxolan-3-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-2-methyloxolan-3-amine is CC1OCCC1NCCOCC(F)F.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-2-methyloxolan-3-amine?
The InChIKey is CIAROWANIYJGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-7-8(2-4-14-7)12-3-5-13-6-9(10)11/h7-9,12H,2-6H2,1H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-2-methyloxolan-3-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-2-methyloxolan-3-amine has a molecular weight of 209.24 g/mol, XLogP of 1.04, 6 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]-2-methyloxolan-3-amine is sourced from PubChem (CID 103082757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).