[2-(difluoromethyl)-3,4-diethylphenyl]phosphonic acid

C11H15F2O3P — CID 54480760

IUPAC[2-(difluoromethyl)-3,4-diethylphenyl]phosphonic acid
SMILESCCc1ccc(P(=O)(O)O)c(C(F)F)c1CC
InChIInChI=1S/C11H15F2O3P/c1-3-7-5-6-9(17(14,15)16)10(11(12)13)8(7)4-2/h5-6,11H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyXOVKLRGEPKBBEH-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.55
Rot. Bonds4

About [2-(difluoromethyl)-3,4-diethylphenyl]phosphonic acid

[2-(difluoromethyl)-3,4-diethylphenyl]phosphonic acid (PubChem CID 54480760) has the molecular formula C11H15F2O3P and a molecular weight of 264.21 g/mol. Its IUPAC name is [2-(difluoromethyl)-3,4-diethylphenyl]phosphonic acid.

Molecular Properties

Compound Name[2-(difluoromethyl)-3,4-diethylphenyl]phosphonic acid
PubChem CID54480760
Molecular FormulaC11H15F2O3P
Molecular Weight264.21 g/mol
Exact Mass264.07
IUPAC Name[2-(difluoromethyl)-3,4-diethylphenyl]phosphonic acid
SMILESCCc1ccc(P(=O)(O)O)c(C(F)F)c1CC
InChIInChI=1S/C11H15F2O3P/c1-3-7-5-6-9(17(14,15)16)10(11(12)13)8(7)4-2/h5-6,11H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyXOVKLRGEPKBBEH-UHFFFAOYSA-N
XLogP2.55
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-3,4-diethylphenyl]phosphonic acid?
The IUPAC name of [2-(difluoromethyl)-3,4-diethylphenyl]phosphonic acid (CID 54480760) is [2-(difluoromethyl)-3,4-diethylphenyl]phosphonic acid.
What is the SMILES notation for [2-(difluoromethyl)-3,4-diethylphenyl]phosphonic acid?
The canonical SMILES for [2-(difluoromethyl)-3,4-diethylphenyl]phosphonic acid is CCc1ccc(P(=O)(O)O)c(C(F)F)c1CC.
What is the InChIKey of [2-(difluoromethyl)-3,4-diethylphenyl]phosphonic acid?
The InChIKey is XOVKLRGEPKBBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2O3P/c1-3-7-5-6-9(17(14,15)16)10(11(12)13)8(7)4-2/h5-6,11H,3-4H2,1-2H3,(H2,14,15,16).
What are the key properties of [2-(difluoromethyl)-3,4-diethylphenyl]phosphonic acid?
[2-(difluoromethyl)-3,4-diethylphenyl]phosphonic acid has a molecular weight of 264.21 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-3,4-diethylphenyl]phosphonic acid is sourced from PubChem (CID 54480760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).