(1,1-difluoro-2,2-dimethylpropyl)-(2,2-dimethylpropanoyloxymethoxy)phosphinic acid

C11H21F2O5P — CID 58663099

IUPAC(1,1-difluoro-2,2-dimethylpropyl)-(2,2-dimethylpropanoyloxymethoxy)phosphinic acid
SMILESCC(C)(C)C(=O)OCOP(=O)(O)C(F)(F)C(C)(C)C
InChIInChI=1S/C11H21F2O5P/c1-9(2,3)8(14)17-7-18-19(15,16)11(12,13)10(4,5)6/h7H2,1-6H3,(H,15,16)
InChIKeySYSIFMRRWSIPQU-UHFFFAOYSA-N
MW302.25 g/mol
LogP3.37
Rot. Bonds4

About (1,1-difluoro-2,2-dimethylpropyl)-(2,2-dimethylpropanoyloxymethoxy)phosphinic acid

(1,1-difluoro-2,2-dimethylpropyl)-(2,2-dimethylpropanoyloxymethoxy)phosphinic acid (PubChem CID 58663099) has the molecular formula C11H21F2O5P and a molecular weight of 302.25 g/mol. Its IUPAC name is (1,1-difluoro-2,2-dimethylpropyl)-(2,2-dimethylpropanoyloxymethoxy)phosphinic acid.

Molecular Properties

Compound Name(1,1-difluoro-2,2-dimethylpropyl)-(2,2-dimethylpropanoyloxymethoxy)phosphinic acid
PubChem CID58663099
Molecular FormulaC11H21F2O5P
Molecular Weight302.25 g/mol
Exact Mass302.11
IUPAC Name(1,1-difluoro-2,2-dimethylpropyl)-(2,2-dimethylpropanoyloxymethoxy)phosphinic acid
SMILESCC(C)(C)C(=O)OCOP(=O)(O)C(F)(F)C(C)(C)C
InChIInChI=1S/C11H21F2O5P/c1-9(2,3)8(14)17-7-18-19(15,16)11(12,13)10(4,5)6/h7H2,1-6H3,(H,15,16)
InChIKeySYSIFMRRWSIPQU-UHFFFAOYSA-N
XLogP3.37
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

((Hydroxyphosphoryl)bis(oxy))bis(methylene) bis(2,2-dimethylpropanoate)
CID 14700775
Bis(tert-butyloxymethoxy)oxophosphinocarboxylic acid, methyl ester
CID 452126
[[Bis(2,2-dimethylpropanoyloxymethoxy)phosphoryl-difluoromethyl]-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 23174174
[2,2-Bis(2,2-dimethylpropanoyloxy)-1,1-difluoroethyl]phosphonic acid
CID 117704173
Difluoromethyl(2-methylpropanoyloxymethoxy)phosphinic acid
CID 139958369
[Difluoromethyl(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate
CID 139958370
1,1-Difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphinic acid;ethane
CID 143170634
1,1-Difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphinic acid
CID 143170635
[(1,1-Difluoro-2-methylbutyl)-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 168981433
[1,1-Difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphanyl]oxymethyl 2,2-dimethylpropanoate;ethane
CID 169170860
(1,1-Difluoro-2-methylbutyl)-(2,2-dimethylpropanoyloxymethoxy)phosphinic acid
CID 169171146
[1,1-Difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 169171157

Frequently Asked Questions

What is the IUPAC name of (1,1-difluoro-2,2-dimethylpropyl)-(2,2-dimethylpropanoyloxymethoxy)phosphinic acid?
The IUPAC name of (1,1-difluoro-2,2-dimethylpropyl)-(2,2-dimethylpropanoyloxymethoxy)phosphinic acid (CID 58663099) is (1,1-difluoro-2,2-dimethylpropyl)-(2,2-dimethylpropanoyloxymethoxy)phosphinic acid.
What is the SMILES notation for (1,1-difluoro-2,2-dimethylpropyl)-(2,2-dimethylpropanoyloxymethoxy)phosphinic acid?
The canonical SMILES for (1,1-difluoro-2,2-dimethylpropyl)-(2,2-dimethylpropanoyloxymethoxy)phosphinic acid is CC(C)(C)C(=O)OCOP(=O)(O)C(F)(F)C(C)(C)C.
What is the InChIKey of (1,1-difluoro-2,2-dimethylpropyl)-(2,2-dimethylpropanoyloxymethoxy)phosphinic acid?
The InChIKey is SYSIFMRRWSIPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2O5P/c1-9(2,3)8(14)17-7-18-19(15,16)11(12,13)10(4,5)6/h7H2,1-6H3,(H,15,16).
What are the key properties of (1,1-difluoro-2,2-dimethylpropyl)-(2,2-dimethylpropanoyloxymethoxy)phosphinic acid?
(1,1-difluoro-2,2-dimethylpropyl)-(2,2-dimethylpropanoyloxymethoxy)phosphinic acid has a molecular weight of 302.25 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-difluoro-2,2-dimethylpropyl)-(2,2-dimethylpropanoyloxymethoxy)phosphinic acid is sourced from PubChem (CID 58663099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).