[1,1-bis(4-fluorophenyl)-1-hydroxypropan-2-yl] 2-[bis(phosphanyl)amino]propanoate

C18H21F2NO3P2 — CID 146533416

IUPAC[1,1-bis(4-fluorophenyl)-1-hydroxypropan-2-yl] 2-[bis(phosphanyl)amino]propanoate
SMILESCC(C(=O)OC(C)C(O)(c1ccc(F)cc1)c1ccc(F)cc1)N(P)P
InChIInChI=1S/C18H21F2NO3P2/c1-11(21(25)26)17(22)24-12(2)18(23,13-3-7-15(19)8-4-13)14-5-9-16(20)10-6-14/h3-12,23H,25-26H2,1-2H3
InChIKeyWOZJKAXFWRSQCK-UHFFFAOYSA-N
MW399.31 g/mol
LogP3.40
Rot. Bonds6

About [1,1-bis(4-fluorophenyl)-1-hydroxypropan-2-yl] 2-[bis(phosphanyl)amino]propanoate

[1,1-bis(4-fluorophenyl)-1-hydroxypropan-2-yl] 2-[bis(phosphanyl)amino]propanoate (PubChem CID 146533416) has the molecular formula C18H21F2NO3P2 and a molecular weight of 399.31 g/mol. Its IUPAC name is [1,1-bis(4-fluorophenyl)-1-hydroxypropan-2-yl] 2-[bis(phosphanyl)amino]propanoate.

Molecular Properties

Compound Name[1,1-bis(4-fluorophenyl)-1-hydroxypropan-2-yl] 2-[bis(phosphanyl)amino]propanoate
PubChem CID146533416
Molecular FormulaC18H21F2NO3P2
Molecular Weight399.31 g/mol
Exact Mass399.10
IUPAC Name[1,1-bis(4-fluorophenyl)-1-hydroxypropan-2-yl] 2-[bis(phosphanyl)amino]propanoate
SMILESCC(C(=O)OC(C)C(O)(c1ccc(F)cc1)c1ccc(F)cc1)N(P)P
InChIInChI=1S/C18H21F2NO3P2/c1-11(21(25)26)17(22)24-12(2)18(23,13-3-7-15(19)8-4-13)14-5-9-16(20)10-6-14/h3-12,23H,25-26H2,1-2H3
InChIKeyWOZJKAXFWRSQCK-UHFFFAOYSA-N
XLogP3.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1,1-bis(4-fluorophenyl)-1-hydroxypropan-2-yl] propanoate
CID 155110586
[(2R)-1,1-bis(4-fluorophenyl)-1-hydroxypropan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 162769122
1,1-bis(4-fluorophenyl)propane-1,2-diol
CID 117062920
methyl 2-amino-3-fluoro-2-(4-fluorophenyl)butanoate
CID 105486322
2-amino-2-(4-fluorophenyl)-2-hydroxyacetic acid
CID 70123452
methyl 3-(4-fluorophenyl)-3-hydroxy-2-methylpentanoate
CID 62393286
ethyl 2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanoate
CID 79366999
4,4,4-trideuterio-2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanamide
CID 163265766
1,1-difluoro-1-(4-fluorophenyl)propan-2-one
CID 83854791
(2S)-2-amino-1,1-bis(4-fluorophenyl)propane-1,3-diol
CID 71661659
2,2-diamino-3-ethyl-1,4-bis(4-fluorophenyl)butane-1,4-dione
CID 141384133
2-ethyl-3-(4-fluorophenyl)-3-hydroxybutanoic acid
CID 62398213

Frequently Asked Questions

What is the IUPAC name of [1,1-bis(4-fluorophenyl)-1-hydroxypropan-2-yl] 2-[bis(phosphanyl)amino]propanoate?
The IUPAC name of [1,1-bis(4-fluorophenyl)-1-hydroxypropan-2-yl] 2-[bis(phosphanyl)amino]propanoate (CID 146533416) is [1,1-bis(4-fluorophenyl)-1-hydroxypropan-2-yl] 2-[bis(phosphanyl)amino]propanoate.
What is the SMILES notation for [1,1-bis(4-fluorophenyl)-1-hydroxypropan-2-yl] 2-[bis(phosphanyl)amino]propanoate?
The canonical SMILES for [1,1-bis(4-fluorophenyl)-1-hydroxypropan-2-yl] 2-[bis(phosphanyl)amino]propanoate is CC(C(=O)OC(C)C(O)(c1ccc(F)cc1)c1ccc(F)cc1)N(P)P.
What is the InChIKey of [1,1-bis(4-fluorophenyl)-1-hydroxypropan-2-yl] 2-[bis(phosphanyl)amino]propanoate?
The InChIKey is WOZJKAXFWRSQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2NO3P2/c1-11(21(25)26)17(22)24-12(2)18(23,13-3-7-15(19)8-4-13)14-5-9-16(20)10-6-14/h3-12,23H,25-26H2,1-2H3.
What are the key properties of [1,1-bis(4-fluorophenyl)-1-hydroxypropan-2-yl] 2-[bis(phosphanyl)amino]propanoate?
[1,1-bis(4-fluorophenyl)-1-hydroxypropan-2-yl] 2-[bis(phosphanyl)amino]propanoate has a molecular weight of 399.31 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1-bis(4-fluorophenyl)-1-hydroxypropan-2-yl] 2-[bis(phosphanyl)amino]propanoate is sourced from PubChem (CID 146533416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).