diethoxyphosphoryl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol

C17H19F3NO5P — CID 86623917

IUPACdiethoxyphosphoryl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol
SMILESCCOP(=O)(OCC)C(O)c1cccc(Oc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C17H19F3NO5P/c1-3-24-27(23,25-4-2)16(22)12-6-5-7-14(10-12)26-15-9-8-13(11-21-15)17(18,19)20/h5-11,16,22H,3-4H2,1-2H3
InChIKeyGPWXEMKAISUZDD-UHFFFAOYSA-N
MW405.31 g/mol
LogP5.15
Rot. Bonds8

About diethoxyphosphoryl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol

diethoxyphosphoryl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol (PubChem CID 86623917) has the molecular formula C17H19F3NO5P and a molecular weight of 405.31 g/mol. Its IUPAC name is diethoxyphosphoryl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol.

Molecular Properties

Compound Namediethoxyphosphoryl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol
PubChem CID86623917
Molecular FormulaC17H19F3NO5P
Molecular Weight405.31 g/mol
Exact Mass405.10
IUPAC Namediethoxyphosphoryl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol
SMILESCCOP(=O)(OCC)C(O)c1cccc(Oc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C17H19F3NO5P/c1-3-24-27(23,25-4-2)16(22)12-6-5-7-14(10-12)26-15-9-8-13(11-21-15)17(18,19)20/h5-11,16,22H,3-4H2,1-2H3
InChIKeyGPWXEMKAISUZDD-UHFFFAOYSA-N
XLogP5.15
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.31
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetamide
CID 100689832
3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 13490922
diethoxyphosphorylmethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
CID 13325076
N-(diethoxyphosphorylmethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide
CID 14030482
2-[3-bromo-5-(chloromethyl)phenoxy]-5-(trifluoromethyl)pyridine;2-[3-bromo-5-(diethoxyphosphorylmethyl)phenoxy]-5-(trifluoromethyl)pyridine
CID 162114595
(R)-(3-bromophenyl)-diethoxyphosphorylmethanol
CID 129391567
N-[2-(diethylamino)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
CID 118273392
N'-[2-(2-ethoxyphenoxy)acetyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzohydrazide
CID 24532076
N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine
CID 62291138
butyl 2-methyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanoate
CID 150451015
N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]prop-2-enamide
CID 166924916
methyl 3-phenyl-3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate
CID 24532609

Frequently Asked Questions

What is the IUPAC name of diethoxyphosphoryl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol?
The IUPAC name of diethoxyphosphoryl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol (CID 86623917) is diethoxyphosphoryl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol.
What is the SMILES notation for diethoxyphosphoryl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol?
The canonical SMILES for diethoxyphosphoryl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol is CCOP(=O)(OCC)C(O)c1cccc(Oc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of diethoxyphosphoryl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol?
The InChIKey is GPWXEMKAISUZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3NO5P/c1-3-24-27(23,25-4-2)16(22)12-6-5-7-14(10-12)26-15-9-8-13(11-21-15)17(18,19)20/h5-11,16,22H,3-4H2,1-2H3.
What are the key properties of diethoxyphosphoryl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol?
diethoxyphosphoryl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol has a molecular weight of 405.31 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphoryl-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol is sourced from PubChem (CID 86623917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).