diethyl 2,2,9,9-tetrafluorodecanedioate

C14H22F4O4 — CID 10065200

IUPACdiethyl 2,2,9,9-tetrafluorodecanedioate
SMILESCCOC(=O)C(F)(F)CCCCCCC(F)(F)C(=O)OCC
InChIInChI=1S/C14H22F4O4/c1-3-21-11(19)13(15,16)9-7-5-6-8-10-14(17,18)12(20)22-4-2/h3-10H2,1-2H3
InChIKeyNPQVVCHKBDXDED-UHFFFAOYSA-N
MW330.32 g/mol
LogP3.72
Rot. Bonds11

About diethyl 2,2,9,9-tetrafluorodecanedioate

diethyl 2,2,9,9-tetrafluorodecanedioate (PubChem CID 10065200) has the molecular formula C14H22F4O4 and a molecular weight of 330.32 g/mol. Its IUPAC name is diethyl 2,2,9,9-tetrafluorodecanedioate.

Molecular Properties

Compound Namediethyl 2,2,9,9-tetrafluorodecanedioate
PubChem CID10065200
Molecular FormulaC14H22F4O4
Molecular Weight330.32 g/mol
Exact Mass330.15
IUPAC Namediethyl 2,2,9,9-tetrafluorodecanedioate
SMILESCCOC(=O)C(F)(F)CCCCCCC(F)(F)C(=O)OCC
InChIInChI=1S/C14H22F4O4/c1-3-21-11(19)13(15,16)9-7-5-6-8-10-14(17,18)12(20)22-4-2/h3-10H2,1-2H3
InChIKeyNPQVVCHKBDXDED-UHFFFAOYSA-N
XLogP3.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2,2-difluoro-12-hydroxydodecanoate
CID 15076440
ethyl 6-bromo-2,2-difluorohexanoate
CID 71371141
ethyl 2,2,6,6,7,7,8,8,9,9,9-undecafluorononanoate
CID 19082567
ethyl 2,2-difluoro-4-methoxybutanoate
CID 154655517
ethyl 4-chloro-2,2-difluoro-4-oxobutanoate
CID 139536341
ethyl 2,2-difluoro-5-oxoheptanoate
CID 102436729
ethyl 4-deuterio-2,2-difluorooctanoate
CID 10375803
ethyl 2,2-difluoro-5-phenoxypentanoate
CID 163363293
methyl 2,2-difluoroheptadecanoate
CID 150501536
tetraethyl pentadecane-4,4,10,10-tetracarboxylate
CID 134314067
ethyl 2-heptyl-2-undecyltetradecanoate
CID 175402901
methyl 2,2-difluorodecanoate
CID 22025599

Frequently Asked Questions

What is the IUPAC name of diethyl 2,2,9,9-tetrafluorodecanedioate?
The IUPAC name of diethyl 2,2,9,9-tetrafluorodecanedioate (CID 10065200) is diethyl 2,2,9,9-tetrafluorodecanedioate.
What is the SMILES notation for diethyl 2,2,9,9-tetrafluorodecanedioate?
The canonical SMILES for diethyl 2,2,9,9-tetrafluorodecanedioate is CCOC(=O)C(F)(F)CCCCCCC(F)(F)C(=O)OCC.
What is the InChIKey of diethyl 2,2,9,9-tetrafluorodecanedioate?
The InChIKey is NPQVVCHKBDXDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F4O4/c1-3-21-11(19)13(15,16)9-7-5-6-8-10-14(17,18)12(20)22-4-2/h3-10H2,1-2H3.
What are the key properties of diethyl 2,2,9,9-tetrafluorodecanedioate?
diethyl 2,2,9,9-tetrafluorodecanedioate has a molecular weight of 330.32 g/mol, XLogP of 3.72, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,2,9,9-tetrafluorodecanedioate is sourced from PubChem (CID 10065200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).