1,1-diethoxyethyl(difluoromethyl)phosphinic acid

C7H15F2O4P — CID 19988595

IUPAC1,1-diethoxyethyl(difluoromethyl)phosphinic acid
SMILESCCOC(C)(OCC)P(=O)(O)C(F)F
InChIInChI=1S/C7H15F2O4P/c1-4-12-7(3,13-5-2)14(10,11)6(8)9/h6H,4-5H2,1-3H3,(H,10,11)
InChIKeyCZUKLRYQCIFGDK-UHFFFAOYSA-N
MW232.16 g/mol
LogP2.23
Rot. Bonds6

About 1,1-diethoxyethyl(difluoromethyl)phosphinic acid

1,1-diethoxyethyl(difluoromethyl)phosphinic acid (PubChem CID 19988595) has the molecular formula C7H15F2O4P and a molecular weight of 232.16 g/mol. Its IUPAC name is 1,1-diethoxyethyl(difluoromethyl)phosphinic acid.

Molecular Properties

Compound Name1,1-diethoxyethyl(difluoromethyl)phosphinic acid
PubChem CID19988595
Molecular FormulaC7H15F2O4P
Molecular Weight232.16 g/mol
Exact Mass232.07
IUPAC Name1,1-diethoxyethyl(difluoromethyl)phosphinic acid
SMILESCCOC(C)(OCC)P(=O)(O)C(F)F
InChIInChI=1S/C7H15F2O4P/c1-4-12-7(3,13-5-2)14(10,11)6(8)9/h6H,4-5H2,1-3H3,(H,10,11)
InChIKeyCZUKLRYQCIFGDK-UHFFFAOYSA-N
XLogP2.23
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1,1-diethoxyethyl(ethoxy)phosphinic acid
CID 150387387
1,1-diethoxyethyl-[1-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]phosphinic acid
CID 22178352
1-[1,1-diethoxyethyl(ethoxy)phosphoryl]-2-methylpropane
CID 10468119
3-amino-3-ethoxy-2-methylbutan-2-ol;phosphoric acid
CID 87344448
sodium;1,1-diethoxyethyl dihydrogen phosphate;hydride
CID 175400534
1,1,1-triethoxypropan-2-ol
CID 87156976
1-amino-1-ethoxyethanol;N,N-dimethylmethanamine;phosphoric acid
CID 174561283
1,1-diethoxyethyl methyl hydrogen phosphate
CID 175400532
1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
CID 2758305
methyl 3,3-diethoxybutanoate
CID 176648277
2,2,5,5-tetraethoxyhexane
CID 42611383
S-ethyl 3-(carbamoylamino)-3-ethoxy-2-methylidenebutanethioate
CID 20978413

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxyethyl(difluoromethyl)phosphinic acid?
The IUPAC name of 1,1-diethoxyethyl(difluoromethyl)phosphinic acid (CID 19988595) is 1,1-diethoxyethyl(difluoromethyl)phosphinic acid.
What is the SMILES notation for 1,1-diethoxyethyl(difluoromethyl)phosphinic acid?
The canonical SMILES for 1,1-diethoxyethyl(difluoromethyl)phosphinic acid is CCOC(C)(OCC)P(=O)(O)C(F)F.
What is the InChIKey of 1,1-diethoxyethyl(difluoromethyl)phosphinic acid?
The InChIKey is CZUKLRYQCIFGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2O4P/c1-4-12-7(3,13-5-2)14(10,11)6(8)9/h6H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 1,1-diethoxyethyl(difluoromethyl)phosphinic acid?
1,1-diethoxyethyl(difluoromethyl)phosphinic acid has a molecular weight of 232.16 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxyethyl(difluoromethyl)phosphinic acid is sourced from PubChem (CID 19988595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).