2-butan-2-yl-N-[1-(2-chlorophenyl)ethenyl]benzenecarboximidoyl fluoride

C19H19ClFN — CID 142253511

IUPAC2-butan-2-yl-N-[1-(2-chlorophenyl)ethenyl]benzenecarboximidoyl fluoride
SMILESC=C(/N=C(\F)c1ccccc1C(C)CC)c1ccccc1Cl
InChIInChI=1S/C19H19ClFN/c1-4-13(2)15-9-5-6-11-17(15)19(21)22-14(3)16-10-7-8-12-18(16)20/h5-13H,3-4H2,1-2H3/b22-19-
InChIKeyAWNXKGZXXUQVBJ-QOCHGBHMSA-N
MW315.82 g/mol
LogP6.24
Rot. Bonds5

About 2-butan-2-yl-N-[1-(2-chlorophenyl)ethenyl]benzenecarboximidoyl fluoride

2-butan-2-yl-N-[1-(2-chlorophenyl)ethenyl]benzenecarboximidoyl fluoride (PubChem CID 142253511) has the molecular formula C19H19ClFN and a molecular weight of 315.82 g/mol. Its IUPAC name is 2-butan-2-yl-N-[1-(2-chlorophenyl)ethenyl]benzenecarboximidoyl fluoride.

Molecular Properties

Compound Name2-butan-2-yl-N-[1-(2-chlorophenyl)ethenyl]benzenecarboximidoyl fluoride
PubChem CID142253511
Molecular FormulaC19H19ClFN
Molecular Weight315.82 g/mol
Exact Mass315.12
IUPAC Name2-butan-2-yl-N-[1-(2-chlorophenyl)ethenyl]benzenecarboximidoyl fluoride
SMILESC=C(/N=C(\F)c1ccccc1C(C)CC)c1ccccc1Cl
InChIInChI=1S/C19H19ClFN/c1-4-13(2)15-9-5-6-11-17(15)19(21)22-14(3)16-10-7-8-12-18(16)20/h5-13H,3-4H2,1-2H3/b22-19-
InChIKeyAWNXKGZXXUQVBJ-QOCHGBHMSA-N
XLogP6.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.82
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-N-[1-(2-chlorophenyl)ethenyl]benzenecarboximidoyl fluoride?
The IUPAC name of 2-butan-2-yl-N-[1-(2-chlorophenyl)ethenyl]benzenecarboximidoyl fluoride (CID 142253511) is 2-butan-2-yl-N-[1-(2-chlorophenyl)ethenyl]benzenecarboximidoyl fluoride.
What is the SMILES notation for 2-butan-2-yl-N-[1-(2-chlorophenyl)ethenyl]benzenecarboximidoyl fluoride?
The canonical SMILES for 2-butan-2-yl-N-[1-(2-chlorophenyl)ethenyl]benzenecarboximidoyl fluoride is C=C(/N=C(\F)c1ccccc1C(C)CC)c1ccccc1Cl.
What is the InChIKey of 2-butan-2-yl-N-[1-(2-chlorophenyl)ethenyl]benzenecarboximidoyl fluoride?
The InChIKey is AWNXKGZXXUQVBJ-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H19ClFN/c1-4-13(2)15-9-5-6-11-17(15)19(21)22-14(3)16-10-7-8-12-18(16)20/h5-13H,3-4H2,1-2H3/b22-19-.
What are the key properties of 2-butan-2-yl-N-[1-(2-chlorophenyl)ethenyl]benzenecarboximidoyl fluoride?
2-butan-2-yl-N-[1-(2-chlorophenyl)ethenyl]benzenecarboximidoyl fluoride has a molecular weight of 315.82 g/mol, XLogP of 6.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-N-[1-(2-chlorophenyl)ethenyl]benzenecarboximidoyl fluoride is sourced from PubChem (CID 142253511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).