2,2,4,4-tetrafluoro-N-[2-(2-methoxyethoxy)ethyl]pentan-1-amine

C10H19F4NO2 — CID 157155087

IUPAC2,2,4,4-tetrafluoro-N-[2-(2-methoxyethoxy)ethyl]pentan-1-amine
SMILESCOCCOCCNCC(F)(F)CC(C)(F)F
InChIInChI=1S/C10H19F4NO2/c1-9(11,12)7-10(13,14)8-15-3-4-17-6-5-16-2/h15H,3-8H2,1-2H3
InChIKeyMTESENYJDGZWSE-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.92
Rot. Bonds10

About 2,2,4,4-tetrafluoro-N-[2-(2-methoxyethoxy)ethyl]pentan-1-amine

2,2,4,4-tetrafluoro-N-[2-(2-methoxyethoxy)ethyl]pentan-1-amine (PubChem CID 157155087) has the molecular formula C10H19F4NO2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 2,2,4,4-tetrafluoro-N-[2-(2-methoxyethoxy)ethyl]pentan-1-amine.

Molecular Properties

Compound Name2,2,4,4-tetrafluoro-N-[2-(2-methoxyethoxy)ethyl]pentan-1-amine
PubChem CID157155087
Molecular FormulaC10H19F4NO2
Molecular Weight261.26 g/mol
Exact Mass261.14
IUPAC Name2,2,4,4-tetrafluoro-N-[2-(2-methoxyethoxy)ethyl]pentan-1-amine
SMILESCOCCOCCNCC(F)(F)CC(C)(F)F
InChIInChI=1S/C10H19F4NO2/c1-9(11,12)7-10(13,14)8-15-3-4-17-6-5-16-2/h15H,3-8H2,1-2H3
InChIKeyMTESENYJDGZWSE-UHFFFAOYSA-N
XLogP1.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.92
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 2,2,4,4-tetrafluoro-N-[2-(2-methoxyethoxy)ethyl]pentan-1-amine?
The IUPAC name of 2,2,4,4-tetrafluoro-N-[2-(2-methoxyethoxy)ethyl]pentan-1-amine (CID 157155087) is 2,2,4,4-tetrafluoro-N-[2-(2-methoxyethoxy)ethyl]pentan-1-amine.
What is the SMILES notation for 2,2,4,4-tetrafluoro-N-[2-(2-methoxyethoxy)ethyl]pentan-1-amine?
The canonical SMILES for 2,2,4,4-tetrafluoro-N-[2-(2-methoxyethoxy)ethyl]pentan-1-amine is COCCOCCNCC(F)(F)CC(C)(F)F.
What is the InChIKey of 2,2,4,4-tetrafluoro-N-[2-(2-methoxyethoxy)ethyl]pentan-1-amine?
The InChIKey is MTESENYJDGZWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F4NO2/c1-9(11,12)7-10(13,14)8-15-3-4-17-6-5-16-2/h15H,3-8H2,1-2H3.
What are the key properties of 2,2,4,4-tetrafluoro-N-[2-(2-methoxyethoxy)ethyl]pentan-1-amine?
2,2,4,4-tetrafluoro-N-[2-(2-methoxyethoxy)ethyl]pentan-1-amine has a molecular weight of 261.26 g/mol, XLogP of 1.92, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetrafluoro-N-[2-(2-methoxyethoxy)ethyl]pentan-1-amine is sourced from PubChem (CID 157155087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).