1-(4-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-methoxycyclobutane-1-carboximidate

C14H14F4NO3- — CID 151474530

IUPAC1-(4-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-methoxycyclobutane-1-carboximidate
SMILESCCOc1ccc(C2(C([O-])=NOC)CC(F)(F)C2(F)F)cc1
InChIInChI=1S/C14H15F4NO3/c1-3-22-10-6-4-9(5-7-10)12(11(20)19-21-2)8-13(15,16)14(12,17)18/h4-7H,3,8H2,1-2H3,(H,19,20)/p-1
InChIKeyPLDYIDUGCNWCHW-UHFFFAOYSA-M
MW320.26 g/mol
LogP2.32
Rot. Bonds5

About 1-(4-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-methoxycyclobutane-1-carboximidate

1-(4-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-methoxycyclobutane-1-carboximidate (PubChem CID 151474530) has the molecular formula C14H14F4NO3- and a molecular weight of 320.26 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-methoxycyclobutane-1-carboximidate.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-methoxycyclobutane-1-carboximidate
PubChem CID151474530
Molecular FormulaC14H14F4NO3-
Molecular Weight320.26 g/mol
Exact Mass320.09
IUPAC Name1-(4-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-methoxycyclobutane-1-carboximidate
SMILESCCOc1ccc(C2(C([O-])=NOC)CC(F)(F)C2(F)F)cc1
InChIInChI=1S/C14H15F4NO3/c1-3-22-10-6-4-9(5-7-10)12(11(20)19-21-2)8-13(15,16)14(12,17)18/h4-7H,3,8H2,1-2H3,(H,19,20)/p-1
InChIKeyPLDYIDUGCNWCHW-UHFFFAOYSA-M
XLogP2.32
TPSA53.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-methoxycyclobutane-1-carboximidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-methoxycyclobutane-1-carboximidate?
The IUPAC name of 1-(4-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-methoxycyclobutane-1-carboximidate (CID 151474530) is 1-(4-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-methoxycyclobutane-1-carboximidate.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-methoxycyclobutane-1-carboximidate?
The canonical SMILES for 1-(4-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-methoxycyclobutane-1-carboximidate is CCOc1ccc(C2(C([O-])=NOC)CC(F)(F)C2(F)F)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-methoxycyclobutane-1-carboximidate?
The InChIKey is PLDYIDUGCNWCHW-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H15F4NO3/c1-3-22-10-6-4-9(5-7-10)12(11(20)19-21-2)8-13(15,16)14(12,17)18/h4-7H,3,8H2,1-2H3,(H,19,20)/p-1.
What are the key properties of 1-(4-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-methoxycyclobutane-1-carboximidate?
1-(4-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-methoxycyclobutane-1-carboximidate has a molecular weight of 320.26 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-methoxycyclobutane-1-carboximidate is sourced from PubChem (CID 151474530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).