dioxido-oxo-[2,2,2-trifluoro-1-(2-methylphenyl)ethyl]-λ5-phosphane

C9H8F3O3P-2 — CID 154510628

IUPACdioxido-oxo-[2,2,2-trifluoro-1-(2-methylphenyl)ethyl]-λ5-phosphane
SMILESCc1ccccc1C(C(F)(F)F)P(=O)([O-])[O-]
InChIInChI=1S/C9H10F3O3P/c1-6-4-2-3-5-7(6)8(9(10,11)12)16(13,14)15/h2-5,8H,1H3,(H2,13,14,15)/p-2
InChIKeyHBOHXAKGKNDWJS-UHFFFAOYSA-L
MW252.13 g/mol
LogP1.51
Rot. Bonds2

About dioxido-oxo-[2,2,2-trifluoro-1-(2-methylphenyl)ethyl]-λ5-phosphane

dioxido-oxo-[2,2,2-trifluoro-1-(2-methylphenyl)ethyl]-λ5-phosphane (PubChem CID 154510628) has the molecular formula C9H8F3O3P-2 and a molecular weight of 252.13 g/mol. Its IUPAC name is dioxido-oxo-[2,2,2-trifluoro-1-(2-methylphenyl)ethyl]-λ5-phosphane.

Molecular Properties

Compound Namedioxido-oxo-[2,2,2-trifluoro-1-(2-methylphenyl)ethyl]-λ5-phosphane
PubChem CID154510628
Molecular FormulaC9H8F3O3P-2
Molecular Weight252.13 g/mol
Exact Mass252.02
IUPAC Namedioxido-oxo-[2,2,2-trifluoro-1-(2-methylphenyl)ethyl]-λ5-phosphane
SMILESCc1ccccc1C(C(F)(F)F)P(=O)([O-])[O-]
InChIInChI=1S/C9H10F3O3P/c1-6-4-2-3-5-7(6)8(9(10,11)12)16(13,14)15/h2-5,8H,1H3,(H2,13,14,15)/p-2
InChIKeyHBOHXAKGKNDWJS-UHFFFAOYSA-L
XLogP1.51
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.13
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-trifluoro-2-(2-methylphenyl)propanal
CID 84776669
1-methyl-2-(2,2,2-trifluoro-1-isocyanoethyl)benzene
CID 84775099
[1-(2-ethylphenyl)-2,2,2-trifluoroethyl]phosphonic acid
CID 66796809
bis[hydroxy-(2-methylphenyl)methyl]phosphinic acid
CID 73235896
[hydroxy-(2-methylphenyl)methyl]phosphonic acid
CID 130670017
4,4,4-trifluoro-3-(2-methylphenyl)butan-1-ol
CID 115030499
2-methyl-N-[(1S)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]propane-2-sulfinamide
CID 58570968
(1R)-2,2,3,3,3-pentafluoro-1-(2-methylphenyl)propan-1-amine;hydrochloride
CID 171312531
2,2,2-trifluoro-N-[(1R)-1-(2-methylphenyl)ethyl]-1-phenylethanamine
CID 81364335
(2S)-2-[[(1R)-2,2,2-trifluoro-1-(2-methylphenyl)ethoxy]methyl]oxirane
CID 97179986
1-methyl-2-(1-nitroethyl)benzene
CID 15573827
(2,2,2-trifluoro-1-phenylethyl)phosphonic acid
CID 66612434

Frequently Asked Questions

What is the IUPAC name of dioxido-oxo-[2,2,2-trifluoro-1-(2-methylphenyl)ethyl]-λ5-phosphane?
The IUPAC name of dioxido-oxo-[2,2,2-trifluoro-1-(2-methylphenyl)ethyl]-λ5-phosphane (CID 154510628) is dioxido-oxo-[2,2,2-trifluoro-1-(2-methylphenyl)ethyl]-λ5-phosphane.
What is the SMILES notation for dioxido-oxo-[2,2,2-trifluoro-1-(2-methylphenyl)ethyl]-λ5-phosphane?
The canonical SMILES for dioxido-oxo-[2,2,2-trifluoro-1-(2-methylphenyl)ethyl]-λ5-phosphane is Cc1ccccc1C(C(F)(F)F)P(=O)([O-])[O-].
What is the InChIKey of dioxido-oxo-[2,2,2-trifluoro-1-(2-methylphenyl)ethyl]-λ5-phosphane?
The InChIKey is HBOHXAKGKNDWJS-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H10F3O3P/c1-6-4-2-3-5-7(6)8(9(10,11)12)16(13,14)15/h2-5,8H,1H3,(H2,13,14,15)/p-2.
What are the key properties of dioxido-oxo-[2,2,2-trifluoro-1-(2-methylphenyl)ethyl]-λ5-phosphane?
dioxido-oxo-[2,2,2-trifluoro-1-(2-methylphenyl)ethyl]-λ5-phosphane has a molecular weight of 252.13 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioxido-oxo-[2,2,2-trifluoro-1-(2-methylphenyl)ethyl]-λ5-phosphane is sourced from PubChem (CID 154510628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).