1-dimethoxyphosphoryl-2,2,2-trifluoro-1-phenylethanol

C10H12F3O4P — CID 102046247

IUPAC1-dimethoxyphosphoryl-2,2,2-trifluoro-1-phenylethanol
SMILESCOP(=O)(OC)C(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H12F3O4P/c1-16-18(15,17-2)9(14,10(11,12)13)8-6-4-3-5-7-8/h3-7,14H,1-2H3
InChIKeyAOEDQRIPVDHROI-UHFFFAOYSA-N
MW284.17 g/mol
LogP2.88
Rot. Bonds4

About 1-dimethoxyphosphoryl-2,2,2-trifluoro-1-phenylethanol

1-dimethoxyphosphoryl-2,2,2-trifluoro-1-phenylethanol (PubChem CID 102046247) has the molecular formula C10H12F3O4P and a molecular weight of 284.17 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-2,2,2-trifluoro-1-phenylethanol.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-2,2,2-trifluoro-1-phenylethanol
PubChem CID102046247
Molecular FormulaC10H12F3O4P
Molecular Weight284.17 g/mol
Exact Mass284.04
IUPAC Name1-dimethoxyphosphoryl-2,2,2-trifluoro-1-phenylethanol
SMILESCOP(=O)(OC)C(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H12F3O4P/c1-16-18(15,17-2)9(14,10(11,12)13)8-6-4-3-5-7-8/h3-7,14H,1-2H3
InChIKeyAOEDQRIPVDHROI-UHFFFAOYSA-N
XLogP2.88
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.17
LogP ≤ 52.88
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

(1R)-2,2,2-trifluoro-1-[methoxy(2-phenylethynyl)phosphoryl]-1-phenylethanol
CID 11862910
(1S)-1-dimethoxyphosphoryl-1-phenylpropan-1-ol
CID 125471750
2-chloro-1-dimethoxyphosphoryl-1-phenylethanol
CID 12886121
1-dimethoxyphosphoryl-1,1-difluoroethane;ethane;toluene
CID 159167607
methyl 3,3,3-trifluoro-2-hydroxy-2-phenylpropanoate
CID 3841925
bis[4-[dimethoxyphosphoryl(difluoro)methyl]phenyl]methanone
CID 10601384
2,2,2-trifluoro-1-(2-methoxyphenyl)-1-phenylethanol
CID 11778513
methyl 2-dimethoxyphosphoryl-3-fluoro-5-oxo-2-phenylpentanoate
CID 174421220
methyl 2-fluoro-2,2-diphenylacetate
CID 13222568
1-diphenylphosphoryl-1-phenylethanol
CID 155934602
tert-butyl N-[(1R)-1-dimethoxyphosphoryl-1-phenylethyl]carbamate
CID 122225403
(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide
CID 67717201

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryl-2,2,2-trifluoro-1-phenylethanol?
The IUPAC name of 1-dimethoxyphosphoryl-2,2,2-trifluoro-1-phenylethanol (CID 102046247) is 1-dimethoxyphosphoryl-2,2,2-trifluoro-1-phenylethanol.
What is the SMILES notation for 1-dimethoxyphosphoryl-2,2,2-trifluoro-1-phenylethanol?
The canonical SMILES for 1-dimethoxyphosphoryl-2,2,2-trifluoro-1-phenylethanol is COP(=O)(OC)C(O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 1-dimethoxyphosphoryl-2,2,2-trifluoro-1-phenylethanol?
The InChIKey is AOEDQRIPVDHROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3O4P/c1-16-18(15,17-2)9(14,10(11,12)13)8-6-4-3-5-7-8/h3-7,14H,1-2H3.
What are the key properties of 1-dimethoxyphosphoryl-2,2,2-trifluoro-1-phenylethanol?
1-dimethoxyphosphoryl-2,2,2-trifluoro-1-phenylethanol has a molecular weight of 284.17 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-2,2,2-trifluoro-1-phenylethanol is sourced from PubChem (CID 102046247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).