4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxy-N,N-dimethylbutanamide

C20H22F2NO3P — CID 143972431

IUPAC4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxy-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCOc1ccc2c(c1)C(O)(C(F)(F)P)c1ccccc1-2
InChIInChI=1S/C20H22F2NO3P/c1-23(2)18(24)8-5-11-26-13-9-10-15-14-6-3-4-7-16(14)19(25,17(15)12-13)20(21,22)27/h3-4,6-7,9-10,12,25H,5,8,11,27H2,1-2H3
InChIKeyWVCTZAZOLJGJMP-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.62
Rot. Bonds6

About 4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxy-N,N-dimethylbutanamide

4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxy-N,N-dimethylbutanamide (PubChem CID 143972431) has the molecular formula C20H22F2NO3P and a molecular weight of 393.37 g/mol. Its IUPAC name is 4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxy-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxy-N,N-dimethylbutanamide
PubChem CID143972431
Molecular FormulaC20H22F2NO3P
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC Name4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxy-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCOc1ccc2c(c1)C(O)(C(F)(F)P)c1ccccc1-2
InChIInChI=1S/C20H22F2NO3P/c1-23(2)18(24)8-5-11-26-13-9-10-15-14-6-3-4-7-16(14)19(25,17(15)12-13)20(21,22)27/h3-4,6-7,9-10,12,25H,5,8,11,27H2,1-2H3
InChIKeyWVCTZAZOLJGJMP-UHFFFAOYSA-N
XLogP3.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxy-N,N-dimethylbutanamide?
The IUPAC name of 4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxy-N,N-dimethylbutanamide (CID 143972431) is 4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxy-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxy-N,N-dimethylbutanamide?
The canonical SMILES for 4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxy-N,N-dimethylbutanamide is CN(C)C(=O)CCCOc1ccc2c(c1)C(O)(C(F)(F)P)c1ccccc1-2.
What is the InChIKey of 4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxy-N,N-dimethylbutanamide?
The InChIKey is WVCTZAZOLJGJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2NO3P/c1-23(2)18(24)8-5-11-26-13-9-10-15-14-6-3-4-7-16(14)19(25,17(15)12-13)20(21,22)27/h3-4,6-7,9-10,12,25H,5,8,11,27H2,1-2H3.
What are the key properties of 4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxy-N,N-dimethylbutanamide?
4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxy-N,N-dimethylbutanamide has a molecular weight of 393.37 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxy-N,N-dimethylbutanamide is sourced from PubChem (CID 143972431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).