N-[1,1-difluoro-2-(2-fluoroethoxy)ethyl]-N,1,1,2,2,3,3-heptafluoro-3-methoxypropan-1-amine

C8H9F10NO2 — CID 23550518

IUPACN-[1,1-difluoro-2-(2-fluoroethoxy)ethyl]-N,1,1,2,2,3,3-heptafluoro-3-methoxypropan-1-amine
SMILESCOC(F)(F)C(F)(F)C(F)(F)N(F)C(F)(F)COCCF
InChIInChI=1S/C8H9F10NO2/c1-20-8(16,17)6(12,13)7(14,15)19(18)5(10,11)4-21-3-2-9/h2-4H2,1H3
InChIKeyIEYNWTWMOVXGJA-UHFFFAOYSA-N
MW341.15 g/mol
LogP3.22
Rot. Bonds9

About N-[1,1-difluoro-2-(2-fluoroethoxy)ethyl]-N,1,1,2,2,3,3-heptafluoro-3-methoxypropan-1-amine

N-[1,1-difluoro-2-(2-fluoroethoxy)ethyl]-N,1,1,2,2,3,3-heptafluoro-3-methoxypropan-1-amine (PubChem CID 23550518) has the molecular formula C8H9F10NO2 and a molecular weight of 341.15 g/mol. Its IUPAC name is N-[1,1-difluoro-2-(2-fluoroethoxy)ethyl]-N,1,1,2,2,3,3-heptafluoro-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[1,1-difluoro-2-(2-fluoroethoxy)ethyl]-N,1,1,2,2,3,3-heptafluoro-3-methoxypropan-1-amine
PubChem CID23550518
Molecular FormulaC8H9F10NO2
Molecular Weight341.15 g/mol
Exact Mass341.05
IUPAC NameN-[1,1-difluoro-2-(2-fluoroethoxy)ethyl]-N,1,1,2,2,3,3-heptafluoro-3-methoxypropan-1-amine
SMILESCOC(F)(F)C(F)(F)C(F)(F)N(F)C(F)(F)COCCF
InChIInChI=1S/C8H9F10NO2/c1-20-8(16,17)6(12,13)7(14,15)19(18)5(10,11)4-21-3-2-9/h2-4H2,1H3
InChIKeyIEYNWTWMOVXGJA-UHFFFAOYSA-N
XLogP3.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 53.22
H-Bond Donors ≤ 50
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'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1,1-difluoro-2-(2-fluoroethoxy)ethyl]-N,1,1,2,2,3,3-heptafluoro-3-methoxypropan-1-amine?
The IUPAC name of N-[1,1-difluoro-2-(2-fluoroethoxy)ethyl]-N,1,1,2,2,3,3-heptafluoro-3-methoxypropan-1-amine (CID 23550518) is N-[1,1-difluoro-2-(2-fluoroethoxy)ethyl]-N,1,1,2,2,3,3-heptafluoro-3-methoxypropan-1-amine.
What is the SMILES notation for N-[1,1-difluoro-2-(2-fluoroethoxy)ethyl]-N,1,1,2,2,3,3-heptafluoro-3-methoxypropan-1-amine?
The canonical SMILES for N-[1,1-difluoro-2-(2-fluoroethoxy)ethyl]-N,1,1,2,2,3,3-heptafluoro-3-methoxypropan-1-amine is COC(F)(F)C(F)(F)C(F)(F)N(F)C(F)(F)COCCF.
What is the InChIKey of N-[1,1-difluoro-2-(2-fluoroethoxy)ethyl]-N,1,1,2,2,3,3-heptafluoro-3-methoxypropan-1-amine?
The InChIKey is IEYNWTWMOVXGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F10NO2/c1-20-8(16,17)6(12,13)7(14,15)19(18)5(10,11)4-21-3-2-9/h2-4H2,1H3.
What are the key properties of N-[1,1-difluoro-2-(2-fluoroethoxy)ethyl]-N,1,1,2,2,3,3-heptafluoro-3-methoxypropan-1-amine?
N-[1,1-difluoro-2-(2-fluoroethoxy)ethyl]-N,1,1,2,2,3,3-heptafluoro-3-methoxypropan-1-amine has a molecular weight of 341.15 g/mol, XLogP of 3.22, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1-difluoro-2-(2-fluoroethoxy)ethyl]-N,1,1,2,2,3,3-heptafluoro-3-methoxypropan-1-amine is sourced from PubChem (CID 23550518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).