(2-methylphenoxy)-(2,2,2-trifluoroethyl)phosphinic acid

C9H10F3O3P — CID 154071432

IUPAC(2-methylphenoxy)-(2,2,2-trifluoroethyl)phosphinic acid
SMILESCc1ccccc1OP(=O)(O)CC(F)(F)F
InChIInChI=1S/C9H10F3O3P/c1-7-4-2-3-5-8(7)15-16(13,14)6-9(10,11)12/h2-5H,6H2,1H3,(H,13,14)
InChIKeyVBFXWJPUFOYMPT-UHFFFAOYSA-N
MW254.14 g/mol
LogP3.12
Rot. Bonds3

About (2-methylphenoxy)-(2,2,2-trifluoroethyl)phosphinic acid

(2-methylphenoxy)-(2,2,2-trifluoroethyl)phosphinic acid (PubChem CID 154071432) has the molecular formula C9H10F3O3P and a molecular weight of 254.14 g/mol. Its IUPAC name is (2-methylphenoxy)-(2,2,2-trifluoroethyl)phosphinic acid.

Molecular Properties

Compound Name(2-methylphenoxy)-(2,2,2-trifluoroethyl)phosphinic acid
PubChem CID154071432
Molecular FormulaC9H10F3O3P
Molecular Weight254.14 g/mol
Exact Mass254.03
IUPAC Name(2-methylphenoxy)-(2,2,2-trifluoroethyl)phosphinic acid
SMILESCc1ccccc1OP(=O)(O)CC(F)(F)F
InChIInChI=1S/C9H10F3O3P/c1-7-4-2-3-5-8(7)15-16(13,14)6-9(10,11)12/h2-5H,6H2,1H3,(H,13,14)
InChIKeyVBFXWJPUFOYMPT-UHFFFAOYSA-N
XLogP3.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl-(2-methylphenoxy)phosphinic acid
CID 13143305
2,2-bis(hydroxymethyl)propane-1,3-diol;tris(2-methylphenyl) phosphate
CID 174787830
1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate
CID 174514664
CID 174515144
CID 174515144
strontium;hydride;tris(2-methylphenyl) phosphate
CID 174594378
sodium;hydride;tris(2-methylphenyl) phosphate;dodecahydrate
CID 174892431
(2-methylphenyl) dihydrogen phosphate;triphenyl phosphate
CID 175331630
2-bis(2-methylphenoxy)phosphoryl-N-methoxy-N-methylacetamide
CID 101269651
1-[difluoro(iodo)methoxy]-2-methylbenzene
CID 15507518
bis(2-methylphenyl) phenyl phosphate
CID 14618640
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
bis(2-methylphenoxy)phosphoryl ethaneperoxoate
CID 172721615

Frequently Asked Questions

What is the IUPAC name of (2-methylphenoxy)-(2,2,2-trifluoroethyl)phosphinic acid?
The IUPAC name of (2-methylphenoxy)-(2,2,2-trifluoroethyl)phosphinic acid (CID 154071432) is (2-methylphenoxy)-(2,2,2-trifluoroethyl)phosphinic acid.
What is the SMILES notation for (2-methylphenoxy)-(2,2,2-trifluoroethyl)phosphinic acid?
The canonical SMILES for (2-methylphenoxy)-(2,2,2-trifluoroethyl)phosphinic acid is Cc1ccccc1OP(=O)(O)CC(F)(F)F.
What is the InChIKey of (2-methylphenoxy)-(2,2,2-trifluoroethyl)phosphinic acid?
The InChIKey is VBFXWJPUFOYMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3O3P/c1-7-4-2-3-5-8(7)15-16(13,14)6-9(10,11)12/h2-5H,6H2,1H3,(H,13,14).
What are the key properties of (2-methylphenoxy)-(2,2,2-trifluoroethyl)phosphinic acid?
(2-methylphenoxy)-(2,2,2-trifluoroethyl)phosphinic acid has a molecular weight of 254.14 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenoxy)-(2,2,2-trifluoroethyl)phosphinic acid is sourced from PubChem (CID 154071432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).