2,2,3,3,3-pentafluoro-N-(2-phenylphenyl)propanimidoyl chloride

C15H9ClF5N — CID 135072597

IUPAC2,2,3,3,3-pentafluoro-N-(2-phenylphenyl)propanimidoyl chloride
SMILESFC(F)(F)C(F)(F)/C(Cl)=N/c1ccccc1-c1ccccc1
InChIInChI=1S/C15H9ClF5N/c16-13(14(17,18)15(19,20)21)22-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H/b22-13-
InChIKeyLQVVPMUJKFBBSU-XKZIYDEJSA-N
MW333.69 g/mol
LogP5.82
Rot. Bonds3

About 2,2,3,3,3-pentafluoro-N-(2-phenylphenyl)propanimidoyl chloride

2,2,3,3,3-pentafluoro-N-(2-phenylphenyl)propanimidoyl chloride (PubChem CID 135072597) has the molecular formula C15H9ClF5N and a molecular weight of 333.69 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-(2-phenylphenyl)propanimidoyl chloride.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-(2-phenylphenyl)propanimidoyl chloride
PubChem CID135072597
Molecular FormulaC15H9ClF5N
Molecular Weight333.69 g/mol
Exact Mass333.03
IUPAC Name2,2,3,3,3-pentafluoro-N-(2-phenylphenyl)propanimidoyl chloride
SMILESFC(F)(F)C(F)(F)/C(Cl)=N/c1ccccc1-c1ccccc1
InChIInChI=1S/C15H9ClF5N/c16-13(14(17,18)15(19,20)21)22-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H/b22-13-
InChIKeyLQVVPMUJKFBBSU-XKZIYDEJSA-N
XLogP5.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.69
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-(2-phenylphenyl)propanimidoyl chloride?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-(2-phenylphenyl)propanimidoyl chloride (CID 135072597) is 2,2,3,3,3-pentafluoro-N-(2-phenylphenyl)propanimidoyl chloride.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-(2-phenylphenyl)propanimidoyl chloride?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-(2-phenylphenyl)propanimidoyl chloride is FC(F)(F)C(F)(F)/C(Cl)=N/c1ccccc1-c1ccccc1.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-(2-phenylphenyl)propanimidoyl chloride?
The InChIKey is LQVVPMUJKFBBSU-XKZIYDEJSA-N. The full InChI is InChI=1S/C15H9ClF5N/c16-13(14(17,18)15(19,20)21)22-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H/b22-13-.
What are the key properties of 2,2,3,3,3-pentafluoro-N-(2-phenylphenyl)propanimidoyl chloride?
2,2,3,3,3-pentafluoro-N-(2-phenylphenyl)propanimidoyl chloride has a molecular weight of 333.69 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-(2-phenylphenyl)propanimidoyl chloride is sourced from PubChem (CID 135072597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).