1-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine

C10H7F14NO — CID 130266390

IUPAC1-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine
SMILESCCOCC(F)(F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H7F14NO/c1-2-26-3-4(11,12)8(19,20)25-9(21,22)6(15,16)5(13,14)7(17,18)10(25,23)24/h2-3H2,1H3
InChIKeyMBIPUVRPOXEABM-UHFFFAOYSA-N
MW423.14 g/mol
LogP4.66
Rot. Bonds5

About 1-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine

1-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine (PubChem CID 130266390) has the molecular formula C10H7F14NO and a molecular weight of 423.14 g/mol. Its IUPAC name is 1-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine.

Molecular Properties

Compound Name1-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine
PubChem CID130266390
Molecular FormulaC10H7F14NO
Molecular Weight423.14 g/mol
Exact Mass423.03
IUPAC Name1-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine
SMILESCCOCC(F)(F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H7F14NO/c1-2-26-3-4(11,12)8(19,20)25-9(21,22)6(15,16)5(13,14)7(17,18)10(25,23)24/h2-3H2,1H3
InChIKeyMBIPUVRPOXEABM-UHFFFAOYSA-N
XLogP4.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.14
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine?
The IUPAC name of 1-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine (CID 130266390) is 1-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine.
What is the SMILES notation for 1-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine?
The canonical SMILES for 1-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine is CCOCC(F)(F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine?
The InChIKey is MBIPUVRPOXEABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F14NO/c1-2-26-3-4(11,12)8(19,20)25-9(21,22)6(15,16)5(13,14)7(17,18)10(25,23)24/h2-3H2,1H3.
What are the key properties of 1-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine?
1-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine has a molecular weight of 423.14 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-1,1,2,2-tetrafluoropropyl)-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine is sourced from PubChem (CID 130266390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).