diethyl-ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclobutyl]phosphanium

C19H29FNOP — CID 158204079

IUPACdiethyl-ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclobutyl]phosphanium
SMILESC[CH-][P+](CC)(CC)C1(C(=O)Nc2c(C)cc(F)cc2C)CCC1
InChIInChI=1S/C19H29FNOP/c1-6-23(7-2,8-3)19(10-9-11-19)18(22)21-17-14(4)12-16(20)13-15(17)5/h6,12-13H,7-11H2,1-5H3,(H,21,22)
InChIKeyPNRWESGDYPBHSW-UHFFFAOYSA-N
MW337.42 g/mol
LogP5.54
Rot. Bonds6

About diethyl-ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclobutyl]phosphanium

diethyl-ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclobutyl]phosphanium (PubChem CID 158204079) has the molecular formula C19H29FNOP and a molecular weight of 337.42 g/mol. Its IUPAC name is diethyl-ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclobutyl]phosphanium.

Molecular Properties

Compound Namediethyl-ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclobutyl]phosphanium
PubChem CID158204079
Molecular FormulaC19H29FNOP
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Namediethyl-ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclobutyl]phosphanium
SMILESC[CH-][P+](CC)(CC)C1(C(=O)Nc2c(C)cc(F)cc2C)CCC1
InChIInChI=1S/C19H29FNOP/c1-6-23(7-2,8-3)19(10-9-11-19)18(22)21-17-14(4)12-16(20)13-15(17)5/h6,12-13H,7-11H2,1-5H3,(H,21,22)
InChIKeyPNRWESGDYPBHSW-UHFFFAOYSA-N
XLogP5.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclobutyl]-methanidyl-methylphosphanium;yttrium
CID 161293843
ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclopropyl]-dimethylphosphanium;yttrium
CID 159651489
butyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclobutyl]-methyl-propylazanium
CID 155693230
1-(1-ethylpiperidin-1-ium-1-yl)-N-(4-fluoro-2,6-dimethylphenyl)cyclobutane-1-carboxamide;yttrium
CID 158491932
tributyl-[1-[(4-isocyano-2,6-dimethylphenyl)carbamoyl]cyclobutyl]phosphanium;yttrium
CID 159263942
N-(4-fluoro-2,6-dimethylphenyl)-1-(1-methylazepan-1-ium-1-yl)cyclobutane-1-carboxamide
CID 155692399
N-(4-fluoro-2,6-dimethylphenyl)propanamide;yttrium
CID 159722509
ethyl-[1-[(4-isocyano-2,6-dimethylphenyl)carbamoyl]cyclopropyl]-dimethylphosphanium;yttrium
CID 159923373
2-(1-ethylphosphepan-1-ium-1-yl)-N-(4-fluoro-2,6-dimethylphenyl)acetamide;yttrium
CID 159170145
[1-(4-fluoro-2,6-dimethylanilino)-1-oxobutan-2-yl]-dimethyl-sulfidoazanium
CID 155692415
[1-[(4-fluoro-2-methoxycarbonyl-6-methylphenyl)carbamoyl]cyclobutyl]-dimethylazanium
CID 155693070
carbanide;N-(4-fluoro-2,6-dimethylphenyl)pentanamide;platinum
CID 156737620

Frequently Asked Questions

What is the IUPAC name of diethyl-ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclobutyl]phosphanium?
The IUPAC name of diethyl-ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclobutyl]phosphanium (CID 158204079) is diethyl-ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclobutyl]phosphanium.
What is the SMILES notation for diethyl-ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclobutyl]phosphanium?
The canonical SMILES for diethyl-ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclobutyl]phosphanium is C[CH-][P+](CC)(CC)C1(C(=O)Nc2c(C)cc(F)cc2C)CCC1.
What is the InChIKey of diethyl-ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclobutyl]phosphanium?
The InChIKey is PNRWESGDYPBHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FNOP/c1-6-23(7-2,8-3)19(10-9-11-19)18(22)21-17-14(4)12-16(20)13-15(17)5/h6,12-13H,7-11H2,1-5H3,(H,21,22).
What are the key properties of diethyl-ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclobutyl]phosphanium?
diethyl-ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclobutyl]phosphanium has a molecular weight of 337.42 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-ethyl-[1-[(4-fluoro-2,6-dimethylphenyl)carbamoyl]cyclobutyl]phosphanium is sourced from PubChem (CID 158204079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).