1-[4-(2-fluoropropan-2-yl)-2-methyl-6-methylphosphanylphenyl]ethanimine

C13H19FNP — CID 143943316

IUPAC1-[4-(2-fluoropropan-2-yl)-2-methyl-6-methylphosphanylphenyl]ethanimine
SMILES[H]/N=C(\C)c1c(C)cc(C(C)(C)F)cc1PC
InChIInChI=1S/C13H19FNP/c1-8-6-10(13(3,4)14)7-11(16-5)12(8)9(2)15/h6-7,15-16H,1-5H3/b15-9+
InChIKeyWDXNTSROOQXRCP-OQLLNIDSSA-N
MW239.27 g/mol
LogP3.52
Rot. Bonds3

About 1-[4-(2-fluoropropan-2-yl)-2-methyl-6-methylphosphanylphenyl]ethanimine

1-[4-(2-fluoropropan-2-yl)-2-methyl-6-methylphosphanylphenyl]ethanimine (PubChem CID 143943316) has the molecular formula C13H19FNP and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-[4-(2-fluoropropan-2-yl)-2-methyl-6-methylphosphanylphenyl]ethanimine.

Molecular Properties

Compound Name1-[4-(2-fluoropropan-2-yl)-2-methyl-6-methylphosphanylphenyl]ethanimine
PubChem CID143943316
Molecular FormulaC13H19FNP
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name1-[4-(2-fluoropropan-2-yl)-2-methyl-6-methylphosphanylphenyl]ethanimine
SMILES[H]/N=C(\C)c1c(C)cc(C(C)(C)F)cc1PC
InChIInChI=1S/C13H19FNP/c1-8-6-10(13(3,4)14)7-11(16-5)12(8)9(2)15/h6-7,15-16H,1-5H3/b15-9+
InChIKeyWDXNTSROOQXRCP-OQLLNIDSSA-N
XLogP3.52
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoropropan-2-yl)-2-methyl-6-methylphosphanylphenyl]ethanimine?
The IUPAC name of 1-[4-(2-fluoropropan-2-yl)-2-methyl-6-methylphosphanylphenyl]ethanimine (CID 143943316) is 1-[4-(2-fluoropropan-2-yl)-2-methyl-6-methylphosphanylphenyl]ethanimine.
What is the SMILES notation for 1-[4-(2-fluoropropan-2-yl)-2-methyl-6-methylphosphanylphenyl]ethanimine?
The canonical SMILES for 1-[4-(2-fluoropropan-2-yl)-2-methyl-6-methylphosphanylphenyl]ethanimine is [H]/N=C(\C)c1c(C)cc(C(C)(C)F)cc1PC.
What is the InChIKey of 1-[4-(2-fluoropropan-2-yl)-2-methyl-6-methylphosphanylphenyl]ethanimine?
The InChIKey is WDXNTSROOQXRCP-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H19FNP/c1-8-6-10(13(3,4)14)7-11(16-5)12(8)9(2)15/h6-7,15-16H,1-5H3/b15-9+.
What are the key properties of 1-[4-(2-fluoropropan-2-yl)-2-methyl-6-methylphosphanylphenyl]ethanimine?
1-[4-(2-fluoropropan-2-yl)-2-methyl-6-methylphosphanylphenyl]ethanimine has a molecular weight of 239.27 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoropropan-2-yl)-2-methyl-6-methylphosphanylphenyl]ethanimine is sourced from PubChem (CID 143943316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).