2,2,3,3,4,4,4-heptafluoro-N-[2-(hydroxymethyl)phenyl]butanimidoyl chloride

C11H7ClF7NO — CID 139228937

IUPAC2,2,3,3,4,4,4-heptafluoro-N-[2-(hydroxymethyl)phenyl]butanimidoyl chloride
SMILESOCc1ccccc1/N=C(\Cl)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H7ClF7NO/c12-8(9(13,14)10(15,16)11(17,18)19)20-7-4-2-1-3-6(7)5-21/h1-4,21H,5H2/b20-8-
InChIKeyFROBDLFCVVFZIW-ZBKNUEDVSA-N
MW337.62 g/mol
LogP4.28
Rot. Bonds4

About 2,2,3,3,4,4,4-heptafluoro-N-[2-(hydroxymethyl)phenyl]butanimidoyl chloride

2,2,3,3,4,4,4-heptafluoro-N-[2-(hydroxymethyl)phenyl]butanimidoyl chloride (PubChem CID 139228937) has the molecular formula C11H7ClF7NO and a molecular weight of 337.62 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-[2-(hydroxymethyl)phenyl]butanimidoyl chloride.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-[2-(hydroxymethyl)phenyl]butanimidoyl chloride
PubChem CID139228937
Molecular FormulaC11H7ClF7NO
Molecular Weight337.62 g/mol
Exact Mass337.01
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-[2-(hydroxymethyl)phenyl]butanimidoyl chloride
SMILESOCc1ccccc1/N=C(\Cl)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H7ClF7NO/c12-8(9(13,14)10(15,16)11(17,18)19)20-7-4-2-1-3-6(7)5-21/h1-4,21H,5H2/b20-8-
InChIKeyFROBDLFCVVFZIW-ZBKNUEDVSA-N
XLogP4.28
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.62
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,2,3,3,4,4,4-heptafluoro-N-[2-(hydroxymethyl)phenyl]butanimidoyl chloride?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[2-(hydroxymethyl)phenyl]butanimidoyl chloride (CID 139228937) is 2,2,3,3,4,4,4-heptafluoro-N-[2-(hydroxymethyl)phenyl]butanimidoyl chloride.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-[2-(hydroxymethyl)phenyl]butanimidoyl chloride?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-[2-(hydroxymethyl)phenyl]butanimidoyl chloride is OCc1ccccc1/N=C(\Cl)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-[2-(hydroxymethyl)phenyl]butanimidoyl chloride?
The InChIKey is FROBDLFCVVFZIW-ZBKNUEDVSA-N. The full InChI is InChI=1S/C11H7ClF7NO/c12-8(9(13,14)10(15,16)11(17,18)19)20-7-4-2-1-3-6(7)5-21/h1-4,21H,5H2/b20-8-.
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-[2-(hydroxymethyl)phenyl]butanimidoyl chloride?
2,2,3,3,4,4,4-heptafluoro-N-[2-(hydroxymethyl)phenyl]butanimidoyl chloride has a molecular weight of 337.62 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-[2-(hydroxymethyl)phenyl]butanimidoyl chloride is sourced from PubChem (CID 139228937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).