9-[difluoro(phosphanyl)methyl]-9-hydroxy-N-(3-hydroxypropyl)-N-methylfluorene-2-carboxamide

C19H20F2NO3P — CID 143972470

IUPAC9-[difluoro(phosphanyl)methyl]-9-hydroxy-N-(3-hydroxypropyl)-N-methylfluorene-2-carboxamide
SMILESCN(CCCO)C(=O)c1ccc2c(c1)C(O)(C(F)(F)P)c1ccccc1-2
InChIInChI=1S/C19H20F2NO3P/c1-22(9-4-10-23)17(24)12-7-8-14-13-5-2-3-6-15(13)18(25,16(14)11-12)19(20,21)26/h2-3,5-8,11,23,25H,4,9-10,26H2,1H3
InChIKeyAKIZMDHJYNWRHF-UHFFFAOYSA-N
MW379.34 g/mol
LogP2.83
Rot. Bonds5

About 9-[difluoro(phosphanyl)methyl]-9-hydroxy-N-(3-hydroxypropyl)-N-methylfluorene-2-carboxamide

9-[difluoro(phosphanyl)methyl]-9-hydroxy-N-(3-hydroxypropyl)-N-methylfluorene-2-carboxamide (PubChem CID 143972470) has the molecular formula C19H20F2NO3P and a molecular weight of 379.34 g/mol. Its IUPAC name is 9-[difluoro(phosphanyl)methyl]-9-hydroxy-N-(3-hydroxypropyl)-N-methylfluorene-2-carboxamide.

Molecular Properties

Compound Name9-[difluoro(phosphanyl)methyl]-9-hydroxy-N-(3-hydroxypropyl)-N-methylfluorene-2-carboxamide
PubChem CID143972470
Molecular FormulaC19H20F2NO3P
Molecular Weight379.34 g/mol
Exact Mass379.11
IUPAC Name9-[difluoro(phosphanyl)methyl]-9-hydroxy-N-(3-hydroxypropyl)-N-methylfluorene-2-carboxamide
SMILESCN(CCCO)C(=O)c1ccc2c(c1)C(O)(C(F)(F)P)c1ccccc1-2
InChIInChI=1S/C19H20F2NO3P/c1-22(9-4-10-23)17(24)12-7-8-14-13-5-2-3-6-15(13)18(25,16(14)11-12)19(20,21)26/h2-3,5-8,11,23,25H,4,9-10,26H2,1H3
InChIKeyAKIZMDHJYNWRHF-UHFFFAOYSA-N
XLogP2.83
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[difluoro(phosphanyl)methyl]-9-hydroxy-N-(3-hydroxypropyl)-N-methylfluorene-2-carboxamide?
The IUPAC name of 9-[difluoro(phosphanyl)methyl]-9-hydroxy-N-(3-hydroxypropyl)-N-methylfluorene-2-carboxamide (CID 143972470) is 9-[difluoro(phosphanyl)methyl]-9-hydroxy-N-(3-hydroxypropyl)-N-methylfluorene-2-carboxamide.
What is the SMILES notation for 9-[difluoro(phosphanyl)methyl]-9-hydroxy-N-(3-hydroxypropyl)-N-methylfluorene-2-carboxamide?
The canonical SMILES for 9-[difluoro(phosphanyl)methyl]-9-hydroxy-N-(3-hydroxypropyl)-N-methylfluorene-2-carboxamide is CN(CCCO)C(=O)c1ccc2c(c1)C(O)(C(F)(F)P)c1ccccc1-2.
What is the InChIKey of 9-[difluoro(phosphanyl)methyl]-9-hydroxy-N-(3-hydroxypropyl)-N-methylfluorene-2-carboxamide?
The InChIKey is AKIZMDHJYNWRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2NO3P/c1-22(9-4-10-23)17(24)12-7-8-14-13-5-2-3-6-15(13)18(25,16(14)11-12)19(20,21)26/h2-3,5-8,11,23,25H,4,9-10,26H2,1H3.
What are the key properties of 9-[difluoro(phosphanyl)methyl]-9-hydroxy-N-(3-hydroxypropyl)-N-methylfluorene-2-carboxamide?
9-[difluoro(phosphanyl)methyl]-9-hydroxy-N-(3-hydroxypropyl)-N-methylfluorene-2-carboxamide has a molecular weight of 379.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[difluoro(phosphanyl)methyl]-9-hydroxy-N-(3-hydroxypropyl)-N-methylfluorene-2-carboxamide is sourced from PubChem (CID 143972470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).