N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-N,1,1,5-tetrafluoropentan-1-amine

C9H13F8NO — CID 20725498

IUPACN-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-N,1,1,5-tetrafluoropentan-1-amine
SMILESCCOC(F)(F)C(F)(F)N(F)C(F)(F)CCCCF
InChIInChI=1S/C9H13F8NO/c1-2-19-9(15,16)8(13,14)18(17)7(11,12)5-3-4-6-10/h2-6H2,1H3
InChIKeyPTGRUNJNYNXAGS-UHFFFAOYSA-N
MW303.19 g/mol
LogP4.13
Rot. Bonds9

About N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-N,1,1,5-tetrafluoropentan-1-amine

N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-N,1,1,5-tetrafluoropentan-1-amine (PubChem CID 20725498) has the molecular formula C9H13F8NO and a molecular weight of 303.19 g/mol. Its IUPAC name is N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-N,1,1,5-tetrafluoropentan-1-amine.

Molecular Properties

Compound NameN-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-N,1,1,5-tetrafluoropentan-1-amine
PubChem CID20725498
Molecular FormulaC9H13F8NO
Molecular Weight303.19 g/mol
Exact Mass303.09
IUPAC NameN-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-N,1,1,5-tetrafluoropentan-1-amine
SMILESCCOC(F)(F)C(F)(F)N(F)C(F)(F)CCCCF
InChIInChI=1S/C9H13F8NO/c1-2-19-9(15,16)8(13,14)18(17)7(11,12)5-3-4-6-10/h2-6H2,1H3
InChIKeyPTGRUNJNYNXAGS-UHFFFAOYSA-N
XLogP4.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-N,1,1,5-tetrafluoropentan-1-amine?
The IUPAC name of N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-N,1,1,5-tetrafluoropentan-1-amine (CID 20725498) is N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-N,1,1,5-tetrafluoropentan-1-amine.
What is the SMILES notation for N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-N,1,1,5-tetrafluoropentan-1-amine?
The canonical SMILES for N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-N,1,1,5-tetrafluoropentan-1-amine is CCOC(F)(F)C(F)(F)N(F)C(F)(F)CCCCF.
What is the InChIKey of N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-N,1,1,5-tetrafluoropentan-1-amine?
The InChIKey is PTGRUNJNYNXAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F8NO/c1-2-19-9(15,16)8(13,14)18(17)7(11,12)5-3-4-6-10/h2-6H2,1H3.
What are the key properties of N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-N,1,1,5-tetrafluoropentan-1-amine?
N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-N,1,1,5-tetrafluoropentan-1-amine has a molecular weight of 303.19 g/mol, XLogP of 4.13, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-N,1,1,5-tetrafluoropentan-1-amine is sourced from PubChem (CID 20725498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).