(1,1-difluoro-3-methyl-2-oxobutyl)-pentoxyphosphinic acid

C10H19F2O4P — CID 121443926

IUPAC(1,1-difluoro-3-methyl-2-oxobutyl)-pentoxyphosphinic acid
SMILESCCCCCOP(=O)(O)C(F)(F)C(=O)C(C)C
InChIInChI=1S/C10H19F2O4P/c1-4-5-6-7-16-17(14,15)10(11,12)9(13)8(2)3/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyFGHJTEJFNQCMHE-UHFFFAOYSA-N
MW272.23 g/mol
LogP3.20
Rot. Bonds8

About (1,1-difluoro-3-methyl-2-oxobutyl)-pentoxyphosphinic acid

(1,1-difluoro-3-methyl-2-oxobutyl)-pentoxyphosphinic acid (PubChem CID 121443926) has the molecular formula C10H19F2O4P and a molecular weight of 272.23 g/mol. Its IUPAC name is (1,1-difluoro-3-methyl-2-oxobutyl)-pentoxyphosphinic acid.

Molecular Properties

Compound Name(1,1-difluoro-3-methyl-2-oxobutyl)-pentoxyphosphinic acid
PubChem CID121443926
Molecular FormulaC10H19F2O4P
Molecular Weight272.23 g/mol
Exact Mass272.10
IUPAC Name(1,1-difluoro-3-methyl-2-oxobutyl)-pentoxyphosphinic acid
SMILESCCCCCOP(=O)(O)C(F)(F)C(=O)C(C)C
InChIInChI=1S/C10H19F2O4P/c1-4-5-6-7-16-17(14,15)10(11,12)9(13)8(2)3/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyFGHJTEJFNQCMHE-UHFFFAOYSA-N
XLogP3.20
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,1-difluoro-3-methyl-2-oxobutyl)-pentoxyphosphinic acid?
The IUPAC name of (1,1-difluoro-3-methyl-2-oxobutyl)-pentoxyphosphinic acid (CID 121443926) is (1,1-difluoro-3-methyl-2-oxobutyl)-pentoxyphosphinic acid.
What is the SMILES notation for (1,1-difluoro-3-methyl-2-oxobutyl)-pentoxyphosphinic acid?
The canonical SMILES for (1,1-difluoro-3-methyl-2-oxobutyl)-pentoxyphosphinic acid is CCCCCOP(=O)(O)C(F)(F)C(=O)C(C)C.
What is the InChIKey of (1,1-difluoro-3-methyl-2-oxobutyl)-pentoxyphosphinic acid?
The InChIKey is FGHJTEJFNQCMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2O4P/c1-4-5-6-7-16-17(14,15)10(11,12)9(13)8(2)3/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of (1,1-difluoro-3-methyl-2-oxobutyl)-pentoxyphosphinic acid?
(1,1-difluoro-3-methyl-2-oxobutyl)-pentoxyphosphinic acid has a molecular weight of 272.23 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-difluoro-3-methyl-2-oxobutyl)-pentoxyphosphinic acid is sourced from PubChem (CID 121443926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).