1,3-difluoropropane;2-ethoxy-N,1,1,2,2-pentafluoro-N-(1,1,2-trifluoroethyl)ethanamine

C9H13F10NO — CID 91212069

IUPAC1,3-difluoropropane;2-ethoxy-N,1,1,2,2-pentafluoro-N-(1,1,2-trifluoroethyl)ethanamine
SMILESCCOC(F)(F)C(F)(F)N(F)C(F)(F)CF.FCCCF
InChIInChI=1S/C6H7F8NO.C3H6F2/c1-2-16-6(12,13)5(10,11)15(14)4(8,9)3-7;4-2-1-3-5/h2-3H2,1H3;1-3H2
InChIKeyYWHUECFNHDAPBD-UHFFFAOYSA-N
MW341.19 g/mol
LogP4.27
Rot. Bonds8

About 1,3-difluoropropane;2-ethoxy-N,1,1,2,2-pentafluoro-N-(1,1,2-trifluoroethyl)ethanamine

1,3-difluoropropane;2-ethoxy-N,1,1,2,2-pentafluoro-N-(1,1,2-trifluoroethyl)ethanamine (PubChem CID 91212069) has the molecular formula C9H13F10NO and a molecular weight of 341.19 g/mol. Its IUPAC name is 1,3-difluoropropane;2-ethoxy-N,1,1,2,2-pentafluoro-N-(1,1,2-trifluoroethyl)ethanamine.

Molecular Properties

Compound Name1,3-difluoropropane;2-ethoxy-N,1,1,2,2-pentafluoro-N-(1,1,2-trifluoroethyl)ethanamine
PubChem CID91212069
Molecular FormulaC9H13F10NO
Molecular Weight341.19 g/mol
Exact Mass341.08
IUPAC Name1,3-difluoropropane;2-ethoxy-N,1,1,2,2-pentafluoro-N-(1,1,2-trifluoroethyl)ethanamine
SMILESCCOC(F)(F)C(F)(F)N(F)C(F)(F)CF.FCCCF
InChIInChI=1S/C6H7F8NO.C3H6F2/c1-2-16-6(12,13)5(10,11)15(14)4(8,9)3-7;4-2-1-3-5/h2-3H2,1H3;1-3H2
InChIKeyYWHUECFNHDAPBD-UHFFFAOYSA-N
XLogP4.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 1,3-difluoropropane;2-ethoxy-N,1,1,2,2-pentafluoro-N-(1,1,2-trifluoroethyl)ethanamine?
The IUPAC name of 1,3-difluoropropane;2-ethoxy-N,1,1,2,2-pentafluoro-N-(1,1,2-trifluoroethyl)ethanamine (CID 91212069) is 1,3-difluoropropane;2-ethoxy-N,1,1,2,2-pentafluoro-N-(1,1,2-trifluoroethyl)ethanamine.
What is the SMILES notation for 1,3-difluoropropane;2-ethoxy-N,1,1,2,2-pentafluoro-N-(1,1,2-trifluoroethyl)ethanamine?
The canonical SMILES for 1,3-difluoropropane;2-ethoxy-N,1,1,2,2-pentafluoro-N-(1,1,2-trifluoroethyl)ethanamine is CCOC(F)(F)C(F)(F)N(F)C(F)(F)CF.FCCCF.
What is the InChIKey of 1,3-difluoropropane;2-ethoxy-N,1,1,2,2-pentafluoro-N-(1,1,2-trifluoroethyl)ethanamine?
The InChIKey is YWHUECFNHDAPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F8NO.C3H6F2/c1-2-16-6(12,13)5(10,11)15(14)4(8,9)3-7;4-2-1-3-5/h2-3H2,1H3;1-3H2.
What are the key properties of 1,3-difluoropropane;2-ethoxy-N,1,1,2,2-pentafluoro-N-(1,1,2-trifluoroethyl)ethanamine?
1,3-difluoropropane;2-ethoxy-N,1,1,2,2-pentafluoro-N-(1,1,2-trifluoroethyl)ethanamine has a molecular weight of 341.19 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoropropane;2-ethoxy-N,1,1,2,2-pentafluoro-N-(1,1,2-trifluoroethyl)ethanamine is sourced from PubChem (CID 91212069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).