ethyl 2-[tributyl(fluoro)-λ5-phosphanyl]acetate

C16H34FO2P — CID 141475326

IUPACethyl 2-[tributyl(fluoro)-λ5-phosphanyl]acetate
SMILESCCCCP(F)(CCCC)(CCCC)CC(=O)OCC
InChIInChI=1S/C16H34FO2P/c1-5-9-12-20(17,13-10-6-2,14-11-7-3)15-16(18)19-8-4/h5-15H2,1-4H3
InChIKeyCFMIUTMHMSMFHG-UHFFFAOYSA-N
MW308.42 g/mol
LogP5.39
Rot. Bonds12

About ethyl 2-[tributyl(fluoro)-λ5-phosphanyl]acetate

ethyl 2-[tributyl(fluoro)-λ5-phosphanyl]acetate (PubChem CID 141475326) has the molecular formula C16H34FO2P and a molecular weight of 308.42 g/mol. Its IUPAC name is ethyl 2-[tributyl(fluoro)-λ5-phosphanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[tributyl(fluoro)-λ5-phosphanyl]acetate
PubChem CID141475326
Molecular FormulaC16H34FO2P
Molecular Weight308.42 g/mol
Exact Mass308.23
IUPAC Nameethyl 2-[tributyl(fluoro)-λ5-phosphanyl]acetate
SMILESCCCCP(F)(CCCC)(CCCC)CC(=O)OCC
InChIInChI=1S/C16H34FO2P/c1-5-9-12-20(17,13-10-6-2,14-11-7-3)15-16(18)19-8-4/h5-15H2,1-4H3
InChIKeyCFMIUTMHMSMFHG-UHFFFAOYSA-N
XLogP5.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(2-ethoxy-2-oxoethyl)-trihydroxy-λ5-phosphanyl]acetate
CID 57217162
4-ethoxy-4-oxobutanoic acid;hexane
CID 87078954
ethyl hexanoate;rhodium
CID 87383837
pentakis(ethyl octanoate);hexane
CID 173194775
ethyl hexanoate;nickel(2+)
CID 162067155
ethyl hexanoate;mercury
CID 174624991
ethyl tetradecanoate
CID 89052756
ethyl hexanoate;titanium
CID 87406037
CID 87572227
CID 87572227
ethyl hexanoate;tungsten
CID 175314088
ethyl undecanoate
CID 12327
ethyl hexanoate;gallane
CID 174708288

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[tributyl(fluoro)-λ5-phosphanyl]acetate?
The IUPAC name of ethyl 2-[tributyl(fluoro)-λ5-phosphanyl]acetate (CID 141475326) is ethyl 2-[tributyl(fluoro)-λ5-phosphanyl]acetate.
What is the SMILES notation for ethyl 2-[tributyl(fluoro)-λ5-phosphanyl]acetate?
The canonical SMILES for ethyl 2-[tributyl(fluoro)-λ5-phosphanyl]acetate is CCCCP(F)(CCCC)(CCCC)CC(=O)OCC.
What is the InChIKey of ethyl 2-[tributyl(fluoro)-λ5-phosphanyl]acetate?
The InChIKey is CFMIUTMHMSMFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34FO2P/c1-5-9-12-20(17,13-10-6-2,14-11-7-3)15-16(18)19-8-4/h5-15H2,1-4H3.
What are the key properties of ethyl 2-[tributyl(fluoro)-λ5-phosphanyl]acetate?
ethyl 2-[tributyl(fluoro)-λ5-phosphanyl]acetate has a molecular weight of 308.42 g/mol, XLogP of 5.39, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[tributyl(fluoro)-λ5-phosphanyl]acetate is sourced from PubChem (CID 141475326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).