1-[4-(2-dimethylphosphanylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one

C18H18F2NOP — CID 166883422

IUPAC1-[4-(2-dimethylphosphanylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one
SMILESCP(C)c1ccccc1-c1ccc(N2CCCC2=O)c(F)c1F
InChIInChI=1S/C18H18F2NOP/c1-23(2)15-7-4-3-6-12(15)13-9-10-14(18(20)17(13)19)21-11-5-8-16(21)22/h3-4,6-7,9-10H,5,8,11H2,1-2H3
InChIKeyGOLCDUZWYQMDDB-UHFFFAOYSA-N
MW333.32 g/mol
LogP4.13
Rot. Bonds3

About 1-[4-(2-dimethylphosphanylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one

1-[4-(2-dimethylphosphanylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one (PubChem CID 166883422) has the molecular formula C18H18F2NOP and a molecular weight of 333.32 g/mol. Its IUPAC name is 1-[4-(2-dimethylphosphanylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(2-dimethylphosphanylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one
PubChem CID166883422
Molecular FormulaC18H18F2NOP
Molecular Weight333.32 g/mol
Exact Mass333.11
IUPAC Name1-[4-(2-dimethylphosphanylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one
SMILESCP(C)c1ccccc1-c1ccc(N2CCCC2=O)c(F)c1F
InChIInChI=1S/C18H18F2NOP/c1-23(2)15-7-4-3-6-12(15)13-9-10-14(18(20)17(13)19)21-11-5-8-16(21)22/h3-4,6-7,9-10H,5,8,11H2,1-2H3
InChIKeyGOLCDUZWYQMDDB-UHFFFAOYSA-N
XLogP4.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-dimethylphosphanylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(2-dimethylphosphanylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one (CID 166883422) is 1-[4-(2-dimethylphosphanylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(2-dimethylphosphanylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(2-dimethylphosphanylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one is CP(C)c1ccccc1-c1ccc(N2CCCC2=O)c(F)c1F.
What is the InChIKey of 1-[4-(2-dimethylphosphanylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one?
The InChIKey is GOLCDUZWYQMDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2NOP/c1-23(2)15-7-4-3-6-12(15)13-9-10-14(18(20)17(13)19)21-11-5-8-16(21)22/h3-4,6-7,9-10H,5,8,11H2,1-2H3.
What are the key properties of 1-[4-(2-dimethylphosphanylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one?
1-[4-(2-dimethylphosphanylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one has a molecular weight of 333.32 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-dimethylphosphanylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one is sourced from PubChem (CID 166883422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).