N-[2-(2-butoxyethoxy)ethyl]-1,2,2,2-tetrafluoroethanamine

C10H19F4NO2 — CID 155740875

IUPACN-[2-(2-butoxyethoxy)ethyl]-1,2,2,2-tetrafluoroethanamine
SMILESCCCCOCCOCCNC(F)C(F)(F)F
InChIInChI=1S/C10H19F4NO2/c1-2-3-5-16-7-8-17-6-4-15-9(11)10(12,13)14/h9,15H,2-8H2,1H3
InChIKeyVSWDQZBUDVQPMR-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.27
Rot. Bonds10

About N-[2-(2-butoxyethoxy)ethyl]-1,2,2,2-tetrafluoroethanamine

N-[2-(2-butoxyethoxy)ethyl]-1,2,2,2-tetrafluoroethanamine (PubChem CID 155740875) has the molecular formula C10H19F4NO2 and a molecular weight of 261.26 g/mol. Its IUPAC name is N-[2-(2-butoxyethoxy)ethyl]-1,2,2,2-tetrafluoroethanamine.

Molecular Properties

Compound NameN-[2-(2-butoxyethoxy)ethyl]-1,2,2,2-tetrafluoroethanamine
PubChem CID155740875
Molecular FormulaC10H19F4NO2
Molecular Weight261.26 g/mol
Exact Mass261.14
IUPAC NameN-[2-(2-butoxyethoxy)ethyl]-1,2,2,2-tetrafluoroethanamine
SMILESCCCCOCCOCCNC(F)C(F)(F)F
InChIInChI=1S/C10H19F4NO2/c1-2-3-5-16-7-8-17-6-4-15-9(11)10(12,13)14/h9,15H,2-8H2,1H3
InChIKeyVSWDQZBUDVQPMR-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
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 N-[2-(2-butoxyethoxy)ethyl]-1,2,2,2-tetrafluoroethanamine?
The IUPAC name of N-[2-(2-butoxyethoxy)ethyl]-1,2,2,2-tetrafluoroethanamine (CID 155740875) is N-[2-(2-butoxyethoxy)ethyl]-1,2,2,2-tetrafluoroethanamine.
What is the SMILES notation for N-[2-(2-butoxyethoxy)ethyl]-1,2,2,2-tetrafluoroethanamine?
The canonical SMILES for N-[2-(2-butoxyethoxy)ethyl]-1,2,2,2-tetrafluoroethanamine is CCCCOCCOCCNC(F)C(F)(F)F.
What is the InChIKey of N-[2-(2-butoxyethoxy)ethyl]-1,2,2,2-tetrafluoroethanamine?
The InChIKey is VSWDQZBUDVQPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F4NO2/c1-2-3-5-16-7-8-17-6-4-15-9(11)10(12,13)14/h9,15H,2-8H2,1H3.
What are the key properties of N-[2-(2-butoxyethoxy)ethyl]-1,2,2,2-tetrafluoroethanamine?
N-[2-(2-butoxyethoxy)ethyl]-1,2,2,2-tetrafluoroethanamine has a molecular weight of 261.26 g/mol, XLogP of 2.27, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-butoxyethoxy)ethyl]-1,2,2,2-tetrafluoroethanamine is sourced from PubChem (CID 155740875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).