bis(2,2,2-trifluoroethyl) decanedioate

C14H20F6O4 — CID 22271802

IUPACbis(2,2,2-trifluoroethyl) decanedioate
SMILESO=C(CCCCCCCCC(=O)OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C14H20F6O4/c15-13(16,17)9-23-11(21)7-5-3-1-2-4-6-8-12(22)24-10-14(18,19)20/h1-10H2
InChIKeyQFVKTZZSNWTFRU-UHFFFAOYSA-N
MW366.30 g/mol
LogP4.32
Rot. Bonds11

About bis(2,2,2-trifluoroethyl) decanedioate

bis(2,2,2-trifluoroethyl) decanedioate (PubChem CID 22271802) has the molecular formula C14H20F6O4 and a molecular weight of 366.30 g/mol. Its IUPAC name is bis(2,2,2-trifluoroethyl) decanedioate.

Molecular Properties

Compound Namebis(2,2,2-trifluoroethyl) decanedioate
PubChem CID22271802
Molecular FormulaC14H20F6O4
Molecular Weight366.30 g/mol
Exact Mass366.13
IUPAC Namebis(2,2,2-trifluoroethyl) decanedioate
SMILESO=C(CCCCCCCCC(=O)OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C14H20F6O4/c15-13(16,17)9-23-11(21)7-5-3-1-2-4-6-8-12(22)24-10-14(18,19)20/h1-10H2
InChIKeyQFVKTZZSNWTFRU-UHFFFAOYSA-N
XLogP4.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 54.32
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

2,2,2-trifluoroethyl icosanoate
CID 91691512
2,2,2-trifluoroethyl octanoate
CID 14590003
ethane;2,2,2-trifluoroethyl tetradecanoate
CID 153334171
6-oxo-6-(2,2,2-trifluoroethoxy)hexanoate
CID 152751982
2,2,2-trifluoroethyl 4-chloro-4-oxobutanoate
CID 90333001
2,2,2-trifluoroethyl 4-oxopentanoate
CID 11030771
2,2,3,3,4,4,4-heptafluorobutyl octadecanoate
CID 91691488
bis(2-amino-2-methylpropyl) hexanedioate
CID 102190255
(2,2-dimethyl-3-octanoyloxypropyl) dodecanoate
CID 177419977
[3-henicosanoyloxy-2,2-bis(henicosanoyloxymethyl)propyl] henicosanoate
CID 87609533
[3-icosanoyloxy-2,2-bis(icosanoyloxymethyl)propyl] icosanoate
CID 22892372
(2,2-dimethyl-3-nonanoyloxypropyl) decanoate
CID 123293931

Frequently Asked Questions

What is the IUPAC name of bis(2,2,2-trifluoroethyl) decanedioate?
The IUPAC name of bis(2,2,2-trifluoroethyl) decanedioate (CID 22271802) is bis(2,2,2-trifluoroethyl) decanedioate.
What is the SMILES notation for bis(2,2,2-trifluoroethyl) decanedioate?
The canonical SMILES for bis(2,2,2-trifluoroethyl) decanedioate is O=C(CCCCCCCCC(=O)OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of bis(2,2,2-trifluoroethyl) decanedioate?
The InChIKey is QFVKTZZSNWTFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F6O4/c15-13(16,17)9-23-11(21)7-5-3-1-2-4-6-8-12(22)24-10-14(18,19)20/h1-10H2.
What are the key properties of bis(2,2,2-trifluoroethyl) decanedioate?
bis(2,2,2-trifluoroethyl) decanedioate has a molecular weight of 366.30 g/mol, XLogP of 4.32, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,2-trifluoroethyl) decanedioate is sourced from PubChem (CID 22271802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).