N-[(E)-2,2,3,3,3-pentafluoropropylideneamino]benzamide

C10H7F5N2O — CID 6900311

IUPACN-[(E)-2,2,3,3,3-pentafluoropropylideneamino]benzamide
SMILESO=C(N/N=C/C(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C10H7F5N2O/c11-9(12,10(13,14)15)6-16-17-8(18)7-4-2-1-3-5-7/h1-6H,(H,17,18)/b16-6+
InChIKeyQCYPPGMCVZDNHO-OMCISZLKSA-N
MW266.17 g/mol
LogP2.60
Rot. Bonds3

About N-[(E)-2,2,3,3,3-pentafluoropropylideneamino]benzamide

N-[(E)-2,2,3,3,3-pentafluoropropylideneamino]benzamide (PubChem CID 6900311) has the molecular formula C10H7F5N2O and a molecular weight of 266.17 g/mol. Its IUPAC name is N-[(E)-2,2,3,3,3-pentafluoropropylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-2,2,3,3,3-pentafluoropropylideneamino]benzamide
PubChem CID6900311
Molecular FormulaC10H7F5N2O
Molecular Weight266.17 g/mol
Exact Mass266.05
IUPAC NameN-[(E)-2,2,3,3,3-pentafluoropropylideneamino]benzamide
SMILESO=C(N/N=C/C(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C10H7F5N2O/c11-9(12,10(13,14)15)6-16-17-8(18)7-4-2-1-3-5-7/h1-6H,(H,17,18)/b16-6+
InChIKeyQCYPPGMCVZDNHO-OMCISZLKSA-N
XLogP2.60
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 5333160

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,2,3,3,3-pentafluoropropylideneamino]benzamide?
The IUPAC name of N-[(E)-2,2,3,3,3-pentafluoropropylideneamino]benzamide (CID 6900311) is N-[(E)-2,2,3,3,3-pentafluoropropylideneamino]benzamide.
What is the SMILES notation for N-[(E)-2,2,3,3,3-pentafluoropropylideneamino]benzamide?
The canonical SMILES for N-[(E)-2,2,3,3,3-pentafluoropropylideneamino]benzamide is O=C(N/N=C/C(F)(F)C(F)(F)F)c1ccccc1.
What is the InChIKey of N-[(E)-2,2,3,3,3-pentafluoropropylideneamino]benzamide?
The InChIKey is QCYPPGMCVZDNHO-OMCISZLKSA-N. The full InChI is InChI=1S/C10H7F5N2O/c11-9(12,10(13,14)15)6-16-17-8(18)7-4-2-1-3-5-7/h1-6H,(H,17,18)/b16-6+.
What are the key properties of N-[(E)-2,2,3,3,3-pentafluoropropylideneamino]benzamide?
N-[(E)-2,2,3,3,3-pentafluoropropylideneamino]benzamide has a molecular weight of 266.17 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,2,3,3,3-pentafluoropropylideneamino]benzamide is sourced from PubChem (CID 6900311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).