Ethyl N-ethoxycarbonyl-2,2,3,3,3-pentafluoropropanimidate

Name: Ethyl N-ethoxycarbonyl-2,2,3,3,3-pentafluoropropanimidate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₈H₁₀F₅NO₃ — CID 131857821

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACethyl N-ethoxycarbonyl-2,2,3,3,3-pentafluoropropanimidate

SMILESCCOC(=O)N=C(OCC)C(F)(F)C(F)(F)F

InChIInChI=1S/C8H10F5NO3/c1-3-16-5(14-6(15)17-4-2)7(9,10)8(11,12)13/h3-4H2,1-2H3

InChIKeyCRZLRQHCPHLQNQ-UHFFFAOYSA-N

MW263.16 g/mol

LogP2.78

Rot. Bonds3

About Ethyl N-ethoxycarbonyl-2,2,3,3,3-pentafluoropropanimidate

Ethyl N-ethoxycarbonyl-2,2,3,3,3-pentafluoropropanimidate (PubChem CID 131857821) has the molecular formula C₈H₁₀F₅NO₃ and a molecular weight of 263.16 g/mol. Its IUPAC name is ethyl N-ethoxycarbonyl-2,2,3,3,3-pentafluoropropanimidate.

Molecular Properties

Compound Name	Ethyl N-ethoxycarbonyl-2,2,3,3,3-pentafluoropropanimidate
PubChem CID	131857821
Molecular Formula	C₈H₁₀F₅NO₃
Molecular Weight	263.16 g/mol
Exact Mass	263.06
IUPAC Name	ethyl N-ethoxycarbonyl-2,2,3,3,3-pentafluoropropanimidate
SMILES	CCOC(=O)N=C(OCC)C(F)(F)C(F)(F)F
InChI	InChI=1S/C8H10F5NO3/c1-3-16-5(14-6(15)17-4-2)7(9,10)8(11,12)13/h3-4H2,1-2H3
InChIKey	CRZLRQHCPHLQNQ-UHFFFAOYSA-N
XLogP	2.78
TPSA	47.89 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	263.16
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Ethyl N-ethoxycarbonyl-2,2,3,3,3-pentafluoropropanimidate?

The IUPAC name of Ethyl N-ethoxycarbonyl-2,2,3,3,3-pentafluoropropanimidate (CID 131857821) is ethyl N-ethoxycarbonyl-2,2,3,3,3-pentafluoropropanimidate.

What is the SMILES notation for Ethyl N-ethoxycarbonyl-2,2,3,3,3-pentafluoropropanimidate?

The canonical SMILES for Ethyl N-ethoxycarbonyl-2,2,3,3,3-pentafluoropropanimidate is CCOC(=O)N=C(OCC)C(F)(F)C(F)(F)F.

What is the InChIKey of Ethyl N-ethoxycarbonyl-2,2,3,3,3-pentafluoropropanimidate?

The InChIKey is CRZLRQHCPHLQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F5NO3/c1-3-16-5(14-6(15)17-4-2)7(9,10)8(11,12)13/h3-4H2,1-2H3.

What are the key properties of Ethyl N-ethoxycarbonyl-2,2,3,3,3-pentafluoropropanimidate?

Ethyl N-ethoxycarbonyl-2,2,3,3,3-pentafluoropropanimidate has a molecular weight of 263.16 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl N-ethoxycarbonyl-2,2,3,3,3-pentafluoropropanimidate is sourced from PubChem (CID 131857821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 131857821 — identifiers, structure, computed properties (public domain)

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