N-[1,1-difluoro-2-(fluoromethoxy)ethyl]-1,1,2,2,3,3-hexafluoro-3-methoxy-N-(trifluoromethyl)propan-1-amine

C8H7F12NO2 — CID 18725581

IUPACN-[1,1-difluoro-2-(fluoromethoxy)ethyl]-1,1,2,2,3,3-hexafluoro-3-methoxy-N-(trifluoromethyl)propan-1-amine
SMILESCOC(F)(F)C(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)COCF
InChIInChI=1S/C8H7F12NO2/c1-22-7(16,17)5(12,13)6(14,15)21(8(18,19)20)4(10,11)2-23-3-9/h2-3H2,1H3
InChIKeyUGEUPKSWNQBRGD-UHFFFAOYSA-N
MW377.13 g/mol
LogP3.81
Rot. Bonds8

About N-[1,1-difluoro-2-(fluoromethoxy)ethyl]-1,1,2,2,3,3-hexafluoro-3-methoxy-N-(trifluoromethyl)propan-1-amine

N-[1,1-difluoro-2-(fluoromethoxy)ethyl]-1,1,2,2,3,3-hexafluoro-3-methoxy-N-(trifluoromethyl)propan-1-amine (PubChem CID 18725581) has the molecular formula C8H7F12NO2 and a molecular weight of 377.13 g/mol. Its IUPAC name is N-[1,1-difluoro-2-(fluoromethoxy)ethyl]-1,1,2,2,3,3-hexafluoro-3-methoxy-N-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound NameN-[1,1-difluoro-2-(fluoromethoxy)ethyl]-1,1,2,2,3,3-hexafluoro-3-methoxy-N-(trifluoromethyl)propan-1-amine
PubChem CID18725581
Molecular FormulaC8H7F12NO2
Molecular Weight377.13 g/mol
Exact Mass377.03
IUPAC NameN-[1,1-difluoro-2-(fluoromethoxy)ethyl]-1,1,2,2,3,3-hexafluoro-3-methoxy-N-(trifluoromethyl)propan-1-amine
SMILESCOC(F)(F)C(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)COCF
InChIInChI=1S/C8H7F12NO2/c1-22-7(16,17)5(12,13)6(14,15)21(8(18,19)20)4(10,11)2-23-3-9/h2-3H2,1H3
InChIKeyUGEUPKSWNQBRGD-UHFFFAOYSA-N
XLogP3.81
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.13
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-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-(fluoromethoxy)ethyl]-1,1,2,2,3,3-hexafluoro-3-methoxy-N-(trifluoromethyl)propan-1-amine?
The IUPAC name of N-[1,1-difluoro-2-(fluoromethoxy)ethyl]-1,1,2,2,3,3-hexafluoro-3-methoxy-N-(trifluoromethyl)propan-1-amine (CID 18725581) is N-[1,1-difluoro-2-(fluoromethoxy)ethyl]-1,1,2,2,3,3-hexafluoro-3-methoxy-N-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for N-[1,1-difluoro-2-(fluoromethoxy)ethyl]-1,1,2,2,3,3-hexafluoro-3-methoxy-N-(trifluoromethyl)propan-1-amine?
The canonical SMILES for N-[1,1-difluoro-2-(fluoromethoxy)ethyl]-1,1,2,2,3,3-hexafluoro-3-methoxy-N-(trifluoromethyl)propan-1-amine is COC(F)(F)C(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)COCF.
What is the InChIKey of N-[1,1-difluoro-2-(fluoromethoxy)ethyl]-1,1,2,2,3,3-hexafluoro-3-methoxy-N-(trifluoromethyl)propan-1-amine?
The InChIKey is UGEUPKSWNQBRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F12NO2/c1-22-7(16,17)5(12,13)6(14,15)21(8(18,19)20)4(10,11)2-23-3-9/h2-3H2,1H3.
What are the key properties of N-[1,1-difluoro-2-(fluoromethoxy)ethyl]-1,1,2,2,3,3-hexafluoro-3-methoxy-N-(trifluoromethyl)propan-1-amine?
N-[1,1-difluoro-2-(fluoromethoxy)ethyl]-1,1,2,2,3,3-hexafluoro-3-methoxy-N-(trifluoromethyl)propan-1-amine has a molecular weight of 377.13 g/mol, XLogP of 3.81, 8 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-(fluoromethoxy)ethyl]-1,1,2,2,3,3-hexafluoro-3-methoxy-N-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 18725581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).