ethyl N-ethoxycarbonyl-2,2,3,3,3-pentafluoropropanimidate

C8H10F5NO3 — CID 131857821

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 Nameethyl N-ethoxycarbonyl-2,2,3,3,3-pentafluoropropanimidate
PubChem CID131857821
Molecular FormulaC8H10F5NO3
Molecular Weight263.16 g/mol
Exact Mass263.06
IUPAC Nameethyl 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
XLogP2.78
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

butyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate
CID 14528357
ethyl N-ethoxycarbonyl-5,5,5-trifluoropentanimidate
CID 54508421
ethyl N-(1,2,2,2-tetrafluoroethylidene)carbamate
CID 173050866
ethyl (1E)-N-ethoxycarbonyl-5,5,5-trifluoropentanimidate
CID 10445064
ethyl (1Z)-N-ethoxycarbonyl-5,5,5-trifluoropentanimidate
CID 22829270

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).