5-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxypentanoic acid

C19H19F2O4P — CID 143972678

IUPAC5-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxypentanoic acid
SMILESO=C(O)CCCCOc1ccc2c(c1)C(O)(C(F)(F)P)c1ccccc1-2
InChIInChI=1S/C19H19F2O4P/c20-19(21,26)18(24)15-6-2-1-5-13(15)14-9-8-12(11-16(14)18)25-10-4-3-7-17(22)23/h1-2,5-6,8-9,11,24H,3-4,7,10,26H2,(H,22,23)
InChIKeyOGHJJFGBRDJROQ-UHFFFAOYSA-N
MW380.33 g/mol
LogP4.00
Rot. Bonds7

About 5-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxypentanoic acid

5-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxypentanoic acid (PubChem CID 143972678) has the molecular formula C19H19F2O4P and a molecular weight of 380.33 g/mol. Its IUPAC name is 5-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxypentanoic acid.

Molecular Properties

Compound Name5-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxypentanoic acid
PubChem CID143972678
Molecular FormulaC19H19F2O4P
Molecular Weight380.33 g/mol
Exact Mass380.10
IUPAC Name5-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxypentanoic acid
SMILESO=C(O)CCCCOc1ccc2c(c1)C(O)(C(F)(F)P)c1ccccc1-2
InChIInChI=1S/C19H19F2O4P/c20-19(21,26)18(24)15-6-2-1-5-13(15)14-9-8-12(11-16(14)18)25-10-4-3-7-17(22)23/h1-2,5-6,8-9,11,24H,3-4,7,10,26H2,(H,22,23)
InChIKeyOGHJJFGBRDJROQ-UHFFFAOYSA-N
XLogP4.00
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 54.00
H-Bond Donors ≤ 52
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 5-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxypentanoic acid?
The IUPAC name of 5-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxypentanoic acid (CID 143972678) is 5-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxypentanoic acid.
What is the SMILES notation for 5-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxypentanoic acid?
The canonical SMILES for 5-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxypentanoic acid is O=C(O)CCCCOc1ccc2c(c1)C(O)(C(F)(F)P)c1ccccc1-2.
What is the InChIKey of 5-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxypentanoic acid?
The InChIKey is OGHJJFGBRDJROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2O4P/c20-19(21,26)18(24)15-6-2-1-5-13(15)14-9-8-12(11-16(14)18)25-10-4-3-7-17(22)23/h1-2,5-6,8-9,11,24H,3-4,7,10,26H2,(H,22,23).
What are the key properties of 5-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxypentanoic acid?
5-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxypentanoic acid has a molecular weight of 380.33 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxypentanoic acid is sourced from PubChem (CID 143972678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).