[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-oxopropan-2-yl] 2,2,4-trimethylpentanoate

C14H20F6O4 — CID 134342932

IUPAC[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-oxopropan-2-yl] 2,2,4-trimethylpentanoate
SMILESCC(C)CC(C)(C)C(=O)OC(C)C(=O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H20F6O4/c1-7(2)6-12(4,5)11(22)23-8(3)9(21)24-10(13(15,16)17)14(18,19)20/h7-8,10H,6H2,1-5H3
InChIKeySLCVYZUKUCMROX-UHFFFAOYSA-N
MW366.30 g/mol
LogP4.03
Rot. Bonds6

About [1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-oxopropan-2-yl] 2,2,4-trimethylpentanoate

[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-oxopropan-2-yl] 2,2,4-trimethylpentanoate (PubChem CID 134342932) has the molecular formula C14H20F6O4 and a molecular weight of 366.30 g/mol. Its IUPAC name is [1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-oxopropan-2-yl] 2,2,4-trimethylpentanoate.

Molecular Properties

Compound Name[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-oxopropan-2-yl] 2,2,4-trimethylpentanoate
PubChem CID134342932
Molecular FormulaC14H20F6O4
Molecular Weight366.30 g/mol
Exact Mass366.13
IUPAC Name[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-oxopropan-2-yl] 2,2,4-trimethylpentanoate
SMILESCC(C)CC(C)(C)C(=O)OC(C)C(=O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H20F6O4/c1-7(2)6-12(4,5)11(22)23-8(3)9(21)24-10(13(15,16)17)14(18,19)20/h7-8,10H,6H2,1-5H3
InChIKeySLCVYZUKUCMROX-UHFFFAOYSA-N
XLogP4.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-oxopropan-2-yl] 2,2,4-trimethylpentanoate with MolForge

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Related Compounds

2-Hydroxyisocaproic acid, pentafluoropropionate
CID 91694730
2-Hydroxyisocaproic acid, heptafluorobutyrate
CID 91694733
2-Methylpentyl 2,3,3,3-tetrafluoro-2-(2-methylpentoxy)propanoate
CID 140317205
Ethyl 2-acetoxy-4-methyl-pentanoate
CID 85344622
Methyl 2-acetyloxy-4-methylpentanoate
CID 14875689
5-(2,2-Dimethylpropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one
CID 22629581
[1-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-1-oxopropan-2-yl] 2-methylbutanoate
CID 57811036
[1-Oxo-1-(2,2,3,3,3-pentafluoropropoxy)propan-2-yl] 2,2-dimethylbutanoate
CID 57811056
[2-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-2-oxoethyl] 2-methylbutanoate
CID 57811070
[2-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate
CID 57811073
[1-Oxo-1-(2,2,3,3,3-pentafluoropropoxy)propan-2-yl] 2-methylbutanoate
CID 57811083
[2-(3,3,4,4,5,5,6,6,6-Nonafluorohexoxy)-2-oxoethyl] 2,2-dimethylbutanoate
CID 57811092

Frequently Asked Questions

What is the IUPAC name of [1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-oxopropan-2-yl] 2,2,4-trimethylpentanoate?
The IUPAC name of [1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-oxopropan-2-yl] 2,2,4-trimethylpentanoate (CID 134342932) is [1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-oxopropan-2-yl] 2,2,4-trimethylpentanoate.
What is the SMILES notation for [1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-oxopropan-2-yl] 2,2,4-trimethylpentanoate?
The canonical SMILES for [1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-oxopropan-2-yl] 2,2,4-trimethylpentanoate is CC(C)CC(C)(C)C(=O)OC(C)C(=O)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-oxopropan-2-yl] 2,2,4-trimethylpentanoate?
The InChIKey is SLCVYZUKUCMROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F6O4/c1-7(2)6-12(4,5)11(22)23-8(3)9(21)24-10(13(15,16)17)14(18,19)20/h7-8,10H,6H2,1-5H3.
What are the key properties of [1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-oxopropan-2-yl] 2,2,4-trimethylpentanoate?
[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-oxopropan-2-yl] 2,2,4-trimethylpentanoate has a molecular weight of 366.30 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-oxopropan-2-yl] 2,2,4-trimethylpentanoate is sourced from PubChem (CID 134342932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).