(3,3,5,5,5-pentafluoro-2,2,4,4-tetramethylpentyl) acetate

C11H17F5O2 — CID 122500286

IUPAC(3,3,5,5,5-pentafluoro-2,2,4,4-tetramethylpentyl) acetate
SMILESCC(=O)OCC(C)(C)C(F)(F)C(C)(C)C(F)(F)F
InChIInChI=1S/C11H17F5O2/c1-7(17)18-6-8(2,3)10(12,13)9(4,5)11(14,15)16/h6H2,1-5H3
InChIKeyRLPSDGKYIRQPOX-UHFFFAOYSA-N
MW276.25 g/mol
LogP3.80
Rot. Bonds4

About (3,3,5,5,5-pentafluoro-2,2,4,4-tetramethylpentyl) acetate

(3,3,5,5,5-pentafluoro-2,2,4,4-tetramethylpentyl) acetate (PubChem CID 122500286) has the molecular formula C11H17F5O2 and a molecular weight of 276.25 g/mol. Its IUPAC name is (3,3,5,5,5-pentafluoro-2,2,4,4-tetramethylpentyl) acetate.

Molecular Properties

Compound Name(3,3,5,5,5-pentafluoro-2,2,4,4-tetramethylpentyl) acetate
PubChem CID122500286
Molecular FormulaC11H17F5O2
Molecular Weight276.25 g/mol
Exact Mass276.11
IUPAC Name(3,3,5,5,5-pentafluoro-2,2,4,4-tetramethylpentyl) acetate
SMILESCC(=O)OCC(C)(C)C(F)(F)C(C)(C)C(F)(F)F
InChIInChI=1S/C11H17F5O2/c1-7(17)18-6-8(2,3)10(12,13)9(4,5)11(14,15)16/h6H2,1-5H3
InChIKeyRLPSDGKYIRQPOX-UHFFFAOYSA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3,3,5,5,5-pentafluoro-2,2,4,4-tetramethylpentyl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-acetyloxy-2,2-difluoropropyl) acetate
CID 59792531
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl acetate
CID 154385185
3-acetyloxy-1,1-difluoro-2,2-dimethylpropane-1-sulfonate;carbanylium
CID 158265529
2,2-dimethylpropyl acetate
CID 13552
2,2-difluorobutyl acetate
CID 58275605
[2,2-difluoro-2-(3,3,4,4-tetrafluoro-4-hydroxy-2-methylbutan-2-yl)oxyethyl] acetate
CID 118458046
(2,2-difluoro-2-nitroethyl) acetate
CID 87849810
1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;propane;propan-2-one
CID 160787315
[(2R)-2-amino-3-hydroxy-2-methylpropyl] acetate
CID 10844523
(2-methyl-2-tellanylbutyl) acetate
CID 175046736
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl acetate
CID 13155363
(2,2-diethyl-3,3-dimethylbutyl) acetate
CID 21363584

Frequently Asked Questions

What is the IUPAC name of (3,3,5,5,5-pentafluoro-2,2,4,4-tetramethylpentyl) acetate?
The IUPAC name of (3,3,5,5,5-pentafluoro-2,2,4,4-tetramethylpentyl) acetate (CID 122500286) is (3,3,5,5,5-pentafluoro-2,2,4,4-tetramethylpentyl) acetate.
What is the SMILES notation for (3,3,5,5,5-pentafluoro-2,2,4,4-tetramethylpentyl) acetate?
The canonical SMILES for (3,3,5,5,5-pentafluoro-2,2,4,4-tetramethylpentyl) acetate is CC(=O)OCC(C)(C)C(F)(F)C(C)(C)C(F)(F)F.
What is the InChIKey of (3,3,5,5,5-pentafluoro-2,2,4,4-tetramethylpentyl) acetate?
The InChIKey is RLPSDGKYIRQPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F5O2/c1-7(17)18-6-8(2,3)10(12,13)9(4,5)11(14,15)16/h6H2,1-5H3.
What are the key properties of (3,3,5,5,5-pentafluoro-2,2,4,4-tetramethylpentyl) acetate?
(3,3,5,5,5-pentafluoro-2,2,4,4-tetramethylpentyl) acetate has a molecular weight of 276.25 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,5,5,5-pentafluoro-2,2,4,4-tetramethylpentyl) acetate is sourced from PubChem (CID 122500286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).