[5,6,6,6-tetrafluoro-3-(trifluoromethyl)hexyl] acetate

C9H11F7O2 — CID 89380857

IUPAC[5,6,6,6-tetrafluoro-3-(trifluoromethyl)hexyl] acetate
SMILESCC(=O)OCCC(CC(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H11F7O2/c1-5(17)18-3-2-6(8(11,12)13)4-7(10)9(14,15)16/h6-7H,2-4H2,1H3
InChIKeyZGOYLYCLTFKFQD-UHFFFAOYSA-N
MW284.17 g/mol
LogP3.41
Rot. Bonds5

About [5,6,6,6-tetrafluoro-3-(trifluoromethyl)hexyl] acetate

[5,6,6,6-tetrafluoro-3-(trifluoromethyl)hexyl] acetate (PubChem CID 89380857) has the molecular formula C9H11F7O2 and a molecular weight of 284.17 g/mol. Its IUPAC name is [5,6,6,6-tetrafluoro-3-(trifluoromethyl)hexyl] acetate.

Molecular Properties

Compound Name[5,6,6,6-tetrafluoro-3-(trifluoromethyl)hexyl] acetate
PubChem CID89380857
Molecular FormulaC9H11F7O2
Molecular Weight284.17 g/mol
Exact Mass284.06
IUPAC Name[5,6,6,6-tetrafluoro-3-(trifluoromethyl)hexyl] acetate
SMILESCC(=O)OCCC(CC(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H11F7O2/c1-5(17)18-3-2-6(8(11,12)13)4-7(10)9(14,15)16/h6-7H,2-4H2,1H3
InChIKeyZGOYLYCLTFKFQD-UHFFFAOYSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.17
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-(acetyloxymethyl)-4,4,4-trifluorobutyl] acetate
CID 102093056
(4,5,5,5-tetrafluoro-2-methylpentyl) acetate
CID 89380851
3-methylbutyl acetate;oxophosphanium
CID 159706016
[4-hydroxy-3-(hydroxymethyl)butyl] acetate
CID 87761693
4-acetyloxy-2-aminobutanoic acid;methanethiol
CID 87646885
3-methylbutyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
CID 2748426
heptane;3-methylbutyl acetate
CID 89407384
2-acetyloxyethyl acetate;silyl acetate
CID 173024816
6-acetyloxy-4-methoxyhexanoic acid
CID 175550435
6-methylheptyl acetate
CID 175958030
3-methylbutyl acetate;propyl 2,2-dimethylpropanoate
CID 174975748
[3,4,6-triacetyloxy-6-hydroxy-5-(trifluoromethylsulfonyloxy)hexyl] acetate
CID 90054288

Frequently Asked Questions

What is the IUPAC name of [5,6,6,6-tetrafluoro-3-(trifluoromethyl)hexyl] acetate?
The IUPAC name of [5,6,6,6-tetrafluoro-3-(trifluoromethyl)hexyl] acetate (CID 89380857) is [5,6,6,6-tetrafluoro-3-(trifluoromethyl)hexyl] acetate.
What is the SMILES notation for [5,6,6,6-tetrafluoro-3-(trifluoromethyl)hexyl] acetate?
The canonical SMILES for [5,6,6,6-tetrafluoro-3-(trifluoromethyl)hexyl] acetate is CC(=O)OCCC(CC(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of [5,6,6,6-tetrafluoro-3-(trifluoromethyl)hexyl] acetate?
The InChIKey is ZGOYLYCLTFKFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F7O2/c1-5(17)18-3-2-6(8(11,12)13)4-7(10)9(14,15)16/h6-7H,2-4H2,1H3.
What are the key properties of [5,6,6,6-tetrafluoro-3-(trifluoromethyl)hexyl] acetate?
[5,6,6,6-tetrafluoro-3-(trifluoromethyl)hexyl] acetate has a molecular weight of 284.17 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6,6,6-tetrafluoro-3-(trifluoromethyl)hexyl] acetate is sourced from PubChem (CID 89380857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).