ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclopropyl]-dimethylphosphanium;yttrium

C16H24FNOPY+ — CID 159651489

IUPACethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclopropyl]-dimethylphosphanium;yttrium
SMILESCC[P+](C)(C)C1(C(=O)Nc2c(C)cc(F)cc2C)CC1.[Y]
InChIInChI=1S/C16H23FNOP.Y/c1-6-20(4,5)16(7-8-16)15(19)18-14-11(2)9-13(17)10-12(14)3;/h9-10H,6-8H2,1-5H3;/p+1
InChIKeyRUSRJAMBHKTFAV-UHFFFAOYSA-O
MW385.25 g/mol
LogP4.21
Rot. Bonds4

About ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclopropyl]-dimethylphosphanium;yttrium

ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclopropyl]-dimethylphosphanium;yttrium (PubChem CID 159651489) has the molecular formula C16H24FNOPY+ and a molecular weight of 385.25 g/mol. Its IUPAC name is ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclopropyl]-dimethylphosphanium;yttrium.

Molecular Properties

Compound Nameethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclopropyl]-dimethylphosphanium;yttrium
PubChem CID159651489
Molecular FormulaC16H24FNOPY+
Molecular Weight385.25 g/mol
Exact Mass385.06
IUPAC Nameethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclopropyl]-dimethylphosphanium;yttrium
SMILESCC[P+](C)(C)C1(C(=O)Nc2c(C)cc(F)cc2C)CC1.[Y]
InChIInChI=1S/C16H23FNOP.Y/c1-6-20(4,5)16(7-8-16)15(19)18-14-11(2)9-13(17)10-12(14)3;/h9-10H,6-8H2,1-5H3;/p+1
InChIKeyRUSRJAMBHKTFAV-UHFFFAOYSA-O
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl-[1-[(4-isocyano-2,6-dimethylphenyl)carbamoyl]cyclopropyl]-dimethylphosphanium;yttrium
CID 159923373
ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclobutyl]-methanidyl-methylphosphanium;yttrium
CID 161293843
diethyl-ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclobutyl]phosphanium
CID 158204079
N-(4-fluoro-2,6-dimethylphenyl)propanamide;yttrium
CID 159722509
1-(1-ethylpiperidin-1-ium-1-yl)-N-(4-fluoro-2,6-dimethylphenyl)cyclobutane-1-carboxamide;yttrium
CID 158491932
butyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclobutyl]-methyl-propylazanium
CID 155693230
N-(4-fluoro-2,6-dimethylphenyl)-1-(1-methylazepan-1-ium-1-yl)cyclobutane-1-carboxamide
CID 155692399
[1-(4-fluoro-2,6-dimethylanilino)-1-oxobutan-2-yl]-dimethyl-sulfidoazanium
CID 155692415
2-(1-ethylazepan-1-ium-1-yl)-N-(4-fluoro-2,6-dimethylphenyl)butanamide;toluene;yttrium
CID 161469239
2-(1-ethylpiperidin-1-ium-1-yl)-N-(4-fluoro-2,6-dimethylphenyl)butanamide;toluene;yttrium
CID 158460729
tributyl-[1-[(4-isocyano-2,6-dimethylphenyl)carbamoyl]cyclobutyl]phosphanium;yttrium
CID 159263942
[2-(2,6-dimethylanilino)-2-oxoethyl]-diethyl-[1-[(4-isocyano-2,6-dimethylphenyl)carbamoyl]cyclopropyl]phosphanium
CID 159789603

Frequently Asked Questions

What is the IUPAC name of ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclopropyl]-dimethylphosphanium;yttrium?
The IUPAC name of ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclopropyl]-dimethylphosphanium;yttrium (CID 159651489) is ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclopropyl]-dimethylphosphanium;yttrium.
What is the SMILES notation for ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclopropyl]-dimethylphosphanium;yttrium?
The canonical SMILES for ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclopropyl]-dimethylphosphanium;yttrium is CC[P+](C)(C)C1(C(=O)Nc2c(C)cc(F)cc2C)CC1.[Y].
What is the InChIKey of ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclopropyl]-dimethylphosphanium;yttrium?
The InChIKey is RUSRJAMBHKTFAV-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23FNOP.Y/c1-6-20(4,5)16(7-8-16)15(19)18-14-11(2)9-13(17)10-12(14)3;/h9-10H,6-8H2,1-5H3;/p+1.
What are the key properties of ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclopropyl]-dimethylphosphanium;yttrium?
ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclopropyl]-dimethylphosphanium;yttrium has a molecular weight of 385.25 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclopropyl]-dimethylphosphanium;yttrium is sourced from PubChem (CID 159651489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).