9-[difluoro(phosphanyl)methyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-(2-hydroxypropan-2-yl)fluoren-9-ol

C22H23F2N2O3P — CID 143972382

IUPAC9-[difluoro(phosphanyl)methyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-(2-hydroxypropan-2-yl)fluoren-9-ol
SMILESCC(C)(O)c1cc(-c2cnn(CCO)c2)cc2c1-c1ccccc1C2(O)C(F)(F)P
InChIInChI=1S/C22H23F2N2O3P/c1-20(2,28)17-9-13(14-11-25-26(12-14)7-8-27)10-18-19(17)15-5-3-4-6-16(15)21(18,29)22(23,24)30/h3-6,9-12,27-29H,7-8,30H2,1-2H3
InChIKeyAYXGROOMSKIDMR-UHFFFAOYSA-N
MW432.41 g/mol
LogP3.45
Rot. Bonds5

About 9-[difluoro(phosphanyl)methyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-(2-hydroxypropan-2-yl)fluoren-9-ol

9-[difluoro(phosphanyl)methyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-(2-hydroxypropan-2-yl)fluoren-9-ol (PubChem CID 143972382) has the molecular formula C22H23F2N2O3P and a molecular weight of 432.41 g/mol. Its IUPAC name is 9-[difluoro(phosphanyl)methyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-(2-hydroxypropan-2-yl)fluoren-9-ol.

Molecular Properties

Compound Name9-[difluoro(phosphanyl)methyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-(2-hydroxypropan-2-yl)fluoren-9-ol
PubChem CID143972382
Molecular FormulaC22H23F2N2O3P
Molecular Weight432.41 g/mol
Exact Mass432.14
IUPAC Name9-[difluoro(phosphanyl)methyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-(2-hydroxypropan-2-yl)fluoren-9-ol
SMILESCC(C)(O)c1cc(-c2cnn(CCO)c2)cc2c1-c1ccccc1C2(O)C(F)(F)P
InChIInChI=1S/C22H23F2N2O3P/c1-20(2,28)17-9-13(14-11-25-26(12-14)7-8-27)10-18-19(17)15-5-3-4-6-16(15)21(18,29)22(23,24)30/h3-6,9-12,27-29H,7-8,30H2,1-2H3
InChIKeyAYXGROOMSKIDMR-UHFFFAOYSA-N
XLogP3.45
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-(2-hydroxypropan-2-yl)fluoren-9-ol?
The IUPAC name of 9-[difluoro(phosphanyl)methyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-(2-hydroxypropan-2-yl)fluoren-9-ol (CID 143972382) is 9-[difluoro(phosphanyl)methyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-(2-hydroxypropan-2-yl)fluoren-9-ol.
What is the SMILES notation for 9-[difluoro(phosphanyl)methyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-(2-hydroxypropan-2-yl)fluoren-9-ol?
The canonical SMILES for 9-[difluoro(phosphanyl)methyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-(2-hydroxypropan-2-yl)fluoren-9-ol is CC(C)(O)c1cc(-c2cnn(CCO)c2)cc2c1-c1ccccc1C2(O)C(F)(F)P.
What is the InChIKey of 9-[difluoro(phosphanyl)methyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-(2-hydroxypropan-2-yl)fluoren-9-ol?
The InChIKey is AYXGROOMSKIDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N2O3P/c1-20(2,28)17-9-13(14-11-25-26(12-14)7-8-27)10-18-19(17)15-5-3-4-6-16(15)21(18,29)22(23,24)30/h3-6,9-12,27-29H,7-8,30H2,1-2H3.
What are the key properties of 9-[difluoro(phosphanyl)methyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-(2-hydroxypropan-2-yl)fluoren-9-ol?
9-[difluoro(phosphanyl)methyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-(2-hydroxypropan-2-yl)fluoren-9-ol has a molecular weight of 432.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[difluoro(phosphanyl)methyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-(2-hydroxypropan-2-yl)fluoren-9-ol is sourced from PubChem (CID 143972382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).