1-diethoxyphosphoryl-1,1-difluoropropan-2-one

C7H13F2O4P — CID 10922308

IUPAC1-diethoxyphosphoryl-1,1-difluoropropan-2-one
SMILESCCOP(=O)(OCC)C(F)(F)C(C)=O
InChIInChI=1S/C7H13F2O4P/c1-4-12-14(11,13-5-2)7(8,9)6(3)10/h4-5H2,1-3H3
InChIKeyVUCCNJWIIFHFDN-UHFFFAOYSA-N
MW230.15 g/mol
LogP2.43
Rot. Bonds6

About 1-diethoxyphosphoryl-1,1-difluoropropan-2-one

1-diethoxyphosphoryl-1,1-difluoropropan-2-one (PubChem CID 10922308) has the molecular formula C7H13F2O4P and a molecular weight of 230.15 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1,1-difluoropropan-2-one.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1,1-difluoropropan-2-one
PubChem CID10922308
Molecular FormulaC7H13F2O4P
Molecular Weight230.15 g/mol
Exact Mass230.05
IUPAC Name1-diethoxyphosphoryl-1,1-difluoropropan-2-one
SMILESCCOP(=O)(OCC)C(F)(F)C(C)=O
InChIInChI=1S/C7H13F2O4P/c1-4-12-14(11,13-5-2)7(8,9)6(3)10/h4-5H2,1-3H3
InChIKeyVUCCNJWIIFHFDN-UHFFFAOYSA-N
XLogP2.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Diethyl (3,3,3-trifluoro-2-oxopropyl)phosphonate
CID 10988630
1-Dibutoxyphosphoryl-1,1-difluoropropan-2-one
CID 12954312
Dimethyl (3,3,3-trifluoro-2-oxopropyl)phosphonate
CID 57624845
1-Diethoxyphosphoryl-2,2,2-trifluoroethanone
CID 13179229
3-Diethoxyphosphoryl-3-fluorobutan-2-one
CID 12187449
1-Dibutoxyphosphoryl-1,1,3,3,3-pentafluoropropan-2-one
CID 12954317
3-Di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-one
CID 134894233
4-Diethoxyphosphoryl-1,1,1-trifluorobut-3-yn-2-one
CID 164668429
5-Diethoxyphosphoryl-5,5-difluoropentan-2-one
CID 10355136
3-Diethoxyphosphoryl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-one
CID 13267238
1-Diethoxyphosphoryl-1-fluoro-propan-2-one
CID 10632307
1-Methyl-2-oxopropylphosphonic acid bis(2,2,2-trifluoroethyl) ester
CID 11001592

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-1,1-difluoropropan-2-one?
The IUPAC name of 1-diethoxyphosphoryl-1,1-difluoropropan-2-one (CID 10922308) is 1-diethoxyphosphoryl-1,1-difluoropropan-2-one.
What is the SMILES notation for 1-diethoxyphosphoryl-1,1-difluoropropan-2-one?
The canonical SMILES for 1-diethoxyphosphoryl-1,1-difluoropropan-2-one is CCOP(=O)(OCC)C(F)(F)C(C)=O.
What is the InChIKey of 1-diethoxyphosphoryl-1,1-difluoropropan-2-one?
The InChIKey is VUCCNJWIIFHFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2O4P/c1-4-12-14(11,13-5-2)7(8,9)6(3)10/h4-5H2,1-3H3.
What are the key properties of 1-diethoxyphosphoryl-1,1-difluoropropan-2-one?
1-diethoxyphosphoryl-1,1-difluoropropan-2-one has a molecular weight of 230.15 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-1,1-difluoropropan-2-one is sourced from PubChem (CID 10922308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).