ethane;1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine

C11H23F4NO2 — CID 155706892

IUPACethane;1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine
SMILESCC.CCCOCCOCCNC(F)C(F)(F)F
InChIInChI=1S/C9H17F4NO2.C2H6/c1-2-4-15-6-7-16-5-3-14-8(10)9(11,12)13;1-2/h8,14H,2-7H2,1H3;1-2H3
InChIKeyLFPCHGICNLRHAB-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.90
Rot. Bonds9

About ethane;1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine

ethane;1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine (PubChem CID 155706892) has the molecular formula C11H23F4NO2 and a molecular weight of 277.30 g/mol. Its IUPAC name is ethane;1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine.

Molecular Properties

Compound Nameethane;1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine
PubChem CID155706892
Molecular FormulaC11H23F4NO2
Molecular Weight277.30 g/mol
Exact Mass277.17
IUPAC Nameethane;1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine
SMILESCC.CCCOCCOCCNC(F)C(F)(F)F
InChIInChI=1S/C9H17F4NO2.C2H6/c1-2-4-15-6-7-16-5-3-14-8(10)9(11,12)13;1-2/h8,14H,2-7H2,1H3;1-2H3
InChIKeyLFPCHGICNLRHAB-UHFFFAOYSA-N
XLogP2.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine?
The IUPAC name of ethane;1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine (CID 155706892) is ethane;1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine.
What is the SMILES notation for ethane;1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine?
The canonical SMILES for ethane;1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine is CC.CCCOCCOCCNC(F)C(F)(F)F.
What is the InChIKey of ethane;1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine?
The InChIKey is LFPCHGICNLRHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F4NO2.C2H6/c1-2-4-15-6-7-16-5-3-14-8(10)9(11,12)13;1-2/h8,14H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine?
ethane;1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine has a molecular weight of 277.30 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine is sourced from PubChem (CID 155706892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).